[(2S)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [(2S)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [(1S)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [(1S)-2-keto-2-(m-anisidino)-1-methyl-ethyl] ester Formula: C18H19N3O6 MolecularWeight: 373.35996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6/c1-11(17(22)20-13-5-4-6-14(10-13)26-3)27-18(23)12-7-8-15(19-2)16(9-12)21(24)25/h4-11,19H,1-3H3,(H,20,22)/t11-/m0/s1