[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C17H16N2O5 MolecularWeight: 328.31934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c1-11-5-3-7-14(9-11)18-16(20)12(2)24-17(21)13-6-4-8-15(10-13)19(22)23/h3-10,12H,1-2H3,(H,18,20)/t12-/m0/s1