[(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-benzamidoethanoate

Systemtic Name: [(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-benzamidoethanoate Openeye Name: [(1S)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [(1S)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl] ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O7/c1-12(29-17(23)11-20-19(25)13-6-4-3-5-7-13)18(24)21-15-9-8-14(22(26)27)10-16(15)28-2/h3-10,12H,11H2,1-2H3,(H,20,25)(H,21,24)/t12-/m0/s1