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

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(2,3-dimethoxyphenyl)propanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-(2,3-dimethoxyphenyl)propanoate CAS Name: 3-(2,3-dimethoxyphenyl)propanoic acid [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 3-(2,3-dimethoxyphenyl)propanoate Traditional Name: 3-(2,3-dimethoxyphenyl)propionic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H23ClN2O7 MolecularWeight: 498.91232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CCC(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=CC(=C1OC)CCC(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H23ClN2O7/c1-33-21-10-6-9-17(23(21)34-2)11-14-22(29)35-24(16-7-4-3-5-8-16)25(30)27-20-13-12-18(28(31)32)15-19(20)26/h3-10,12-13,15,24H,11,14H2,1-2H3,(H,27,30)