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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3

InChI

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