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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)[C@H](C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4/c1-3-13-7-4-5-10-16(13)20-17(22)12(2)19-18(23)14-8-6-9-15(11-14)21(24)25/h4-12H,3H2,1-2H3,(H,19,23)(H,20,22)/t12-/m0/s1