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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC2=C(C(=O)N(C2=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC2=C(C(=O)N(C2=O)C3=CC=CC=C3)Cl

InChI

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