methyl 5-cyano-1-[2-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-1-[2-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-1-[2-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-oxo-ethyl]-6-oxo-pyridine-3-carboxylate CAS Name: 5-cyano-1-[2-[2,5-dimethyl-1-(3-nitrophenyl)-3-pyrrolyl]-2-oxoethyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-1-[2-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate Traditional Name: 5-cyano-1-[2-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-keto-ethyl]-6-keto-nicotinic acid methyl ester Formula: C22H18N4O6 MolecularWeight: 434.40152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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