ethyl 4-[3-[(4-methylphenyl)amino]-2,5-bis(oxidanylidene)-4-pyridin-1-ium-1-yl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[(4-methylphenyl)amino]-2,5-bis(oxidanylidene)-4-pyridin-1-ium-1-yl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-(4-methylanilino)-2,5-dioxo-4-pyridin-1-ium-1-yl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(4-methylanilino)-2,5-dioxo-4-(1-pyridin-1-iumyl)-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-methylanilino)-2,5-dioxo-4-pyridin-1-ium-1-ylpyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(p-toluidino)-4-pyridin-1-ium-1-yl-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C25H22N3O4+ MolecularWeight: 428.45988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)[N+]3=CC=CC=C3)NC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)[N+]3=CC=CC=C3)NC4=CC=C(C=C4)C

InChI

InChI=1S/C25H21N3O4/c1-3-32-25(31)18-9-13-20(14-10-18)28-23(29)21(26-19-11-7-17(2)8-12-19)22(24(28)30)27-15-5-4-6-16-27/h4-16H,3H2,1-2H3/p+1