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

Systemtic Name: 4-chloranyl-N-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl]-3-nitro-benzamide Formula: C17H16ClN3O4 MolecularWeight: 361.77964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O4/c1-10-3-6-13(7-4-10)20-16(22)11(2)19-17(23)12-5-8-14(18)15(9-12)21(24)25/h3-9,11H,1-2H3,(H,19,23)(H,20,22)/t11-/m0/s1