methyl 4-[3-[2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(3-cyano-5-nitro-2-oxo-1-pyridyl)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(3-cyano-5-nitro-2-oxopyridin-1-yl)acetyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-(3-cyano-2-keto-5-nitro-1-pyridyl)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C22H18N4O6 MolecularWeight: 434.40152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O6/c1-13-8-19(14(2)25(13)17-6-4-15(5-7-17)22(29)32-3)20(27)12-24-11-18(26(30)31)9-16(10-23)21(24)28/h4-9,11H,12H2,1-3H3