methyl 4-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)amino]benzoate CAS Name: 4-[[(5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)amino]benzoate Traditional Name: 4-[(3-keto-5-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)amino]benzoic acid methyl ester Formula: C22H19N4O4+ MolecularWeight: 403.41066

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

C[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H18N4O4/c1-25-12-17(20(27)23-15-10-8-14(9-11-15)22(29)30-2)19-18(13-25)21(28)26(24-19)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,27,29)/p+1