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

Systemtic Name: methyl 4-[(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(5-ethyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)amino]benzoate CAS Name: 4-[[(5-ethyl-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-ethyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)amino]benzoate Traditional Name: 4-[(5-ethyl-3-keto-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)amino]benzoic acid methyl ester Formula: C23H21N4O4+ MolecularWeight: 417.43724

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Descriptors Computed from Structure

Canonical SMILES:

CC[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

CC[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/C23H20N4O4/c1-3-26-13-18(21(28)24-16-11-9-15(10-12-16)23(30)31-2)20-19(14-26)22(29)27(25-20)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,24,28,30)/p+1