4-(azepan-1-yl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-3-nitro-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c1-17-7-10-19(11-8-17)24-22(28)16-25(2)23(29)18-9-12-20(21(15-18)27(30)31)26-13-5-3-4-6-14-26/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,28)