butyl 2-[3-chloranyl-2,5-bis(oxidanylidene)-4-phenylazanyl-pyrrol-1-yl]benzoate

Systemtic Name: butyl 2-[3-chloranyl-2,5-bis(oxidanylidene)-4-phenylazanyl-pyrrol-1-yl]benzoate Openeye Name: butyl 2-(3-anilino-4-chloro-2,5-dioxo-pyrrol-1-yl)benzoate CAS Name: 2-(3-anilino-4-chloro-2,5-dioxo-1-pyrrolyl)benzoic acid butyl ester IUPAC Name: butyl 2-(3-anilino-4-chloro-2,5-dioxopyrrol-1-yl)benzoate Traditional Name: 2-(3-anilino-4-chloro-2,5-diketo-3-pyrrolin-1-yl)benzoic acid butyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O4/c1-2-3-13-28-21(27)15-11-7-8-12-16(15)24-19(25)17(22)18(20(24)26)23-14-9-5-4-6-10-14/h4-12,23H,2-3,13H2,1H3