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

Systemtic Name: butyl 3-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenethyl-pyrrol-3-yl]amino]benzoate Openeye Name: butyl 3-[(4-chloro-2,5-dioxo-1-phenethyl-pyrrol-3-yl)amino]benzoate CAS Name: 3-[(4-chloro-2,5-dioxo-1-phenethyl-3-pyrrolyl)amino]benzoic acid butyl ester IUPAC Name: butyl 3-[(4-chloro-2,5-dioxo-1-phenethylpyrrol-3-yl)amino]benzoate Traditional Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]benzoic acid butyl ester Formula: C23H23ClN2O4 MolecularWeight: 426.89272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H23ClN2O4/c1-2-3-14-30-23(29)17-10-7-11-18(15-17)25-20-19(24)21(27)26(22(20)28)13-12-16-8-5-4-6-9-16/h4-11,15,25H,2-3,12-14H2,1H3