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

Systemtic Name: (3-ethylphenyl) 4-[[4-chloranyl-1-naphthalen-1-yl-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoate Openeye Name: (3-ethylphenyl) 4-[[4-chloro-1-(1-naphthyl)-2,5-dioxo-pyrrol-3-yl]amino]benzoate CAS Name: 4-[[4-chloro-1-(1-naphthalenyl)-2,5-dioxo-3-pyrrolyl]amino]benzoic acid (3-ethylphenyl) ester IUPAC Name: (3-ethylphenyl) 4-[(4-chloro-1-naphthalen-1-yl-2,5-dioxopyrrol-3-yl)amino]benzoate Traditional Name: 4-[[4-chloro-2,5-diketo-1-(1-naphthyl)-3-pyrrolin-3-yl]amino]benzoic acid (3-ethylphenyl) ester Formula: C29H21ClN2O4 MolecularWeight: 496.94104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)Cl

Isomeric SMILES

CCC1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)Cl

InChI

InChI=1S/C29H21ClN2O4/c1-2-18-7-5-10-22(17-18)36-29(35)20-13-15-21(16-14-20)31-26-25(30)27(33)32(28(26)34)24-12-6-9-19-8-3-4-11-23(19)24/h3-17,31H,2H2,1H3