[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-azanyl-3,5-bis(chloranyl)benzoate

Systemtic Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-azanyl-3,5-bis(chloranyl)benzoate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl] 2-amino-3,5-dichloro-benzoate CAS Name: 2-amino-3,5-dichlorobenzoic acid [2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate Traditional Name: 2-amino-3,5-dichloro-benzoic acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H18Cl2N2O3 MolecularWeight: 417.28522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC(=CC(=C3N)Cl)Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC(=CC(=C3N)Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O3/c1-12-8-16(13(2)25(12)15-6-4-3-5-7-15)19(26)11-28-21(27)17-9-14(22)10-18(23)20(17)24/h3-10H,11,24H2,1-2H3