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

Systemtic Name: propan-2-yl 3-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenethyl-pyrrol-3-yl]amino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O4/c1-14(2)29-22(28)16-9-6-10-17(13-16)24-19-18(23)20(26)25(21(19)27)12-11-15-7-4-3-5-8-15/h3-10,13-14,24H,11-12H2,1-2H3