N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-3-nitro-4-[(phenylmethyl)amino]benzamide

Systemtic Name: N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-3-nitro-4-[(phenylmethyl)amino]benzamide Openeye Name: 4-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-nitro-benzamide CAS Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-nitro-4-[(phenylmethyl)amino]benzamide IUPAC Name: 4-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-nitrobenzamide Traditional Name: 4-(benzylamino)-N-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methyl]-3-nitro-benzamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H22N4O4/c1-14-10-15(2)25-22(28)18(14)13-24-21(27)17-8-9-19(20(11-17)26(29)30)23-12-16-6-4-3-5-7-16/h3-11,23H,12-13H2,1-2H3,(H,24,27)(H,25,28)