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

Systemtic Name: (4-ethanoylphenyl) 4-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenethyl-pyrrol-3-yl]amino]benzoate Openeye Name: (4-acetylphenyl) 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 (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 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 (4-acetylphenyl) ester Formula: C27H21ClN2O5 MolecularWeight: 488.91904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H21ClN2O5/c1-17(31)19-9-13-22(14-10-19)35-27(34)20-7-11-21(12-8-20)29-24-23(28)25(32)30(26(24)33)16-15-18-5-3-2-4-6-18/h2-14,29H,15-16H2,1H3