[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamidobenzoate

Systemtic Name: [(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamidobenzoate Openeye Name: [(1R)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [(1R)-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)C2=CC(=CC=C2)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O7/c1-11(29-19(25)13-5-4-6-14(9-13)20-12(2)23)18(24)21-16-8-7-15(22(26)27)10-17(16)28-3/h4-11H,1-3H3,(H,20,23)(H,21,24)/t11-/m1/s1