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

Systemtic Name: N-[(2S)-1-[(3,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-(3,4-dimethylanilino)-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(3,4-dimethylanilino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(3,4-dimethylanilino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-(3,4-dimethylanilino)-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c1-11-7-8-15(9-12(11)2)20-17(22)13(3)19-18(23)14-5-4-6-16(10-14)21(24)25/h4-10,13H,1-3H3,(H,19,23)(H,20,22)/t13-/m0/s1