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

Systemtic Name: (2-methylphenyl) 4-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenethyl-pyrrol-3-yl]amino]benzoate Openeye Name: o-tolyl 4-[(4-chloro-2,5-dioxo-1-phenethyl-pyrrol-3-yl)amino]benzoate CAS Name: 4-[(4-chloro-2,5-dioxo-1-phenethyl-3-pyrrolyl)amino]benzoic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 4-[(4-chloro-2,5-dioxo-1-phenethylpyrrol-3-yl)amino]benzoate Traditional Name: 4-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]benzoic acid o-tolyl ester Formula: C26H21ClN2O4 MolecularWeight: 460.90894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H21ClN2O4/c1-17-7-5-6-10-21(17)33-26(32)19-11-13-20(14-12-19)28-23-22(27)24(30)29(25(23)31)16-15-18-8-3-2-4-9-18/h2-14,28H,15-16H2,1H3