chempirical

N'-(2-Cyano-5-methoxy-4-nitrophenyl)-N,N-dimethylformimidamide

C11H12N4O3CAS 1269400-04-5248.24 g/mol

Open in Covalent MOL file
NNNN+OO−O
EtherNitrileNitro

Properties

Molecular formula
C11H12N4O3
Molar mass
248.24 g/mol
Exact mass
248.0909 Da
logP
1.70Crippen estimate
Polar surface area
91.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
1269400-04-5
SMILES
CN(C)C=NC1=CC(=C(C=C1C#N)[N+](=O)[O-])OC
InChIKey
KRQJJPTWQAWICH-UHFFFAOYSA-N
InChI
InChI=1S/C11H12N4O3/c1-14(2)7-13-9-5-11(18-3)10(15(16)17)4-8(9)6-12/h4-5,7H,1-3H3

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Work with N'-(2-Cyano-5-methoxy-4-nitrophenyl)-N,N-dimethylformimidamide

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

4,5-Dimethoxy-2-nitrobenzonitrile102714-71-655 % similar 2-Cyano-5-nitroanisole101084-96-247 % similar 2,5-Dimethoxy-4-nitrobenzenamine6313-37-743 % similar 4-Methoxy-5-[3-(4-morpholinyl)propoxy]-2-nitrobenzonitrile675126-26-843 % similar 1-Chloro-2,5-dimethoxy-4-nitrobenzene6940-53-042 % similar 3-Methoxy-4-nitrophenol16292-95-842 % similar 2,4-Dinitroanisole119-27-740 % similar 2,4-Dimethoxy-1-nitrobenzene4920-84-740 % similar

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

Elsewhere

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