chempirical

Methyl 10-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-9-methoxy-3-oxo-3H-benzo[F]chromene-2-carboxylate

C20H13NO7CAS 137350-66-4379.32 g/mol

Open in Covalent MOL file
OOOOONOO
AlkeneAmideEsterEtherLactam

Properties

Molecular formula
C20H13NO7
Molar mass
379.32 g/mol
Exact mass
379.0692 Da
logP
2.17Crippen estimate
Polar surface area
103.1 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
137350-66-4
SMILES
COC1=C(C2=C(C=CC3=C2C=C(C(=O)O3)C(=O)OC)C=C1)N4C(=O)C=CC4=O
InChIKey
NLQBAJWAMARDBZ-UHFFFAOYSA-N
InChI
InChI=1S/C20H13NO7/c1-26-14-6-4-10-3-5-13-11(9-12(19(24)27-2)20(25)28-13)17(10)18(14)21-15(22)7-8-16(21)23/h3-9H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Methyl 10-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-9-methoxy-3-oxo-3H-benzo[F]chromene-2-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 5-formyl-2-methoxybenzoate78515-16-937 % similar Methyl 5-chloro-2-methoxybenzoate33924-48-035 % similar Methyl 1,4-dihydro-7-methoxy-4-oxo-6-quinolinecarboxylate205448-65-335 % similar Methyl 2-methoxy-5-nitrobenzoate34841-11-735 % similar N-(2-Methoxyphenyl)maleimide17392-68-634 % similar Methyl 2,4-dimethoxybenzoate2150-41-634 % similar Methyl 2-methoxybenzoate606-45-134 % similar Methyl 5-(ethylsulphonyl)-o-anisate62140-67-434 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook