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

Systemtic Name: (2-propan-2-ylphenyl) 4-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenyl-pyrrol-3-yl]amino]benzoate Openeye Name: (2-isopropylphenyl) 4-[(4-chloro-2,5-dioxo-1-phenyl-pyrrol-3-yl)amino]benzoate CAS Name: 4-[(4-chloro-2,5-dioxo-1-phenyl-3-pyrrolyl)amino]benzoic acid (2-propan-2-ylphenyl) ester IUPAC Name: (2-propan-2-ylphenyl) 4-[(4-chloro-2,5-dioxo-1-phenylpyrrol-3-yl)amino]benzoate Traditional Name: 4-[(4-chloro-2,5-diketo-1-phenyl-3-pyrrolin-3-yl)amino]benzoic acid o-cumenyl ester Formula: C26H21ClN2O4 MolecularWeight: 460.90894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C26H21ClN2O4/c1-16(2)20-10-6-7-11-21(20)33-26(32)17-12-14-18(15-13-17)28-23-22(27)24(30)29(25(23)31)19-8-4-3-5-9-19/h3-16,28H,1-2H3