[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-pyrrol-1-ylbenzoate

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-pyrrol-1-ylbenzoate Openeye Name: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)N3C=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)N3C=CC=C3)OC

InChI

InChI=1S/C21H20N2O5/c1-26-17-8-9-18(19(13-17)27-2)22-20(24)14-28-21(25)15-6-5-7-16(12-15)23-10-3-4-11-23/h3-13H,14H2,1-2H3,(H,22,24)