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

Systemtic Name: (2-tert-butylphenyl) 4-[[4-chloranyl-1-naphthalen-1-yl-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoate Openeye Name: (2-tert-butylphenyl) 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 (2-tert-butylphenyl) ester IUPAC Name: (2-tert-butylphenyl) 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 (2-tert-butylphenyl) ester Formula: C31H25ClN2O4 MolecularWeight: 524.9942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)Cl

InChI

InChI=1S/C31H25ClN2O4/c1-31(2,3)23-12-6-7-14-25(23)38-30(37)20-15-17-21(18-16-20)33-27-26(32)28(35)34(29(27)36)24-13-8-10-19-9-4-5-11-22(19)24/h4-18,33H,1-3H3