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

Systemtic Name: N-[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C17H14N4O4 MolecularWeight: 338.31746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4/c1-11(16(22)20-14-6-2-4-12(8-14)10-18)19-17(23)13-5-3-7-15(9-13)21(24)25/h2-9,11H,1H3,(H,19,23)(H,20,22)/t11-/m0/s1