N-(2-cyano-4-nitro-phenyl)-1-[(3-methylphenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-1-[(3-methylphenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-1-(m-tolylmethyl)-6-oxo-pyridine-3-carboxamide CAS Name: N-(2-cyano-4-nitrophenyl)-1-[(3-methylphenyl)methyl]-6-oxo-3-pyridinecarboxamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-6-keto-1-(3-methylbenzyl)nicotinamide Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C=CC2=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C=CC2=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H16N4O4/c1-14-3-2-4-15(9-14)12-24-13-16(5-8-20(24)26)21(27)23-19-7-6-18(25(28)29)10-17(19)11-22/h2-10,13H,12H2,1H3,(H,23,27)