[(1R)-2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3,4-dimethoxybenzoate

Systemtic Name: [(1R)-2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3,4-dimethoxybenzoate Openeye Name: [(1R)-2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [(1R)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(1R)-2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C23H19ClN2O7 MolecularWeight: 470.85916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C23H19ClN2O7/c1-31-19-11-8-15(12-20(19)32-2)23(28)33-21(14-6-4-3-5-7-14)22(27)25-18-10-9-16(26(29)30)13-17(18)24/h3-13,21H,1-2H3,(H,25,27)/t21-/m1/s1