N-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl]-3-nitro-benzamide Formula: C17H17N3O4 MolecularWeight: 327.33458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4/c1-11-6-8-14(9-7-11)19-16(21)12(2)18-17(22)13-4-3-5-15(10-13)20(23)24/h3-10,12H,1-2H3,(H,18,22)(H,19,21)/t12-/m0/s1