[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl] ester Formula: C24H23N3O6 MolecularWeight: 449.45592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O6/c1-15-9-12-21(32-3)19(13-15)26-23(28)22(16-7-5-4-6-8-16)33-24(29)17-10-11-18(25-2)20(14-17)27(30)31/h4-14,22,25H,1-3H3,(H,26,28)/t22-/m0/s1