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

Systemtic Name: (2-azanyl-4-methyl-phenyl) 4-[[4-chloranyl-1-naphthalen-1-yl-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoate Openeye Name: (2-amino-4-methyl-phenyl) 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-amino-4-methylphenyl) ester IUPAC Name: (2-amino-4-methylphenyl) 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-amino-4-methyl-phenyl) ester Formula: C28H20ClN3O4 MolecularWeight: 497.9291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)Cl)N

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)Cl)N

InChI

InChI=1S/C28H20ClN3O4/c1-16-9-14-23(21(30)15-16)36-28(35)18-10-12-19(13-11-18)31-25-24(29)26(33)32(27(25)34)22-8-4-6-17-5-2-3-7-20(17)22/h2-15,31H,30H2,1H3