propan-2-yl 4-[(5-cyano-4-methyl-6-oxidanyl-2-oxidanylidene-1-phenethyl-3H-pyridin-1-ium-3-yl)diazenyl]benzoate

Systemtic Name: propan-2-yl 4-[(5-cyano-4-methyl-6-oxidanyl-2-oxidanylidene-1-phenethyl-3H-pyridin-1-ium-3-yl)diazenyl]benzoate Openeye Name: isopropyl 4-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1-phenethyl-3H-pyridin-1-ium-3-yl)azo]benzoate CAS Name: 4-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1-phenethyl-3H-pyridin-1-ium-3-yl)azo]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1-phenethyl-3H-pyridin-1-ium-3-yl)diazenyl]benzoate Traditional Name: 4-[(5-cyano-6-hydroxy-2-keto-4-methyl-1-phenethyl-3H-pyridin-1-ium-3-yl)azo]benzoic acid isopropyl ester Formula: C25H25N4O4+ MolecularWeight: 445.4904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](C(=O)C1N=NC2=CC=C(C=C2)C(=O)OC(C)C)CCC3=CC=CC=C3)O)C#N

Isomeric SMILES

CC1=C(C(=[N+](C(=O)C1N=NC2=CC=C(C=C2)C(=O)OC(C)C)CCC3=CC=CC=C3)O)C#N

InChI

InChI=1S/C25H24N4O4/c1-16(2)33-25(32)19-9-11-20(12-10-19)27-28-22-17(3)21(15-26)23(30)29(24(22)31)14-13-18-7-5-4-6-8-18/h4-12,16,22H,13-14H2,1-3H3/p+1