2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; (3E)-4-methyl-3-(phenylhydrazinylidene)-5-pyridin-1-ium-1-yl-pyridine-2,6-dione

Systemtic Name: 2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; (3E)-4-methyl-3-(phenylhydrazinylidene)-5-pyridin-1-ium-1-yl-pyridine-2,6-dione Openeye Name: 2,4-dihydroxy-4-oxo-butanoate; (3E)-4-methyl-3-(phenylhydrazono)-5-pyridin-1-ium-1-yl-pyridine-2,6-dione CAS Name: 2,4-dihydroxy-4-oxobutanoate; (3E)-4-methyl-3-(phenylhydrazinylidene)-5-(1-pyridin-1-iumyl)pyridine-2,6-dione IUPAC Name: 2,4-dihydroxy-4-oxobutanoate; (3E)-4-methyl-3-(phenylhydrazinylidene)-5-pyridin-1-ium-1-ylpyridine-2,6-dione Traditional Name: 2,4-dihydroxy-4-keto-butyrate; (3E)-4-methyl-3-(phenylhydrazono)-5-pyridin-1-ium-1-yl-pyridine-2,6-quinone Formula: C21H20N4O7 MolecularWeight: 440.4061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=O)C1=NNC2=CC=CC=C2)[N+]3=CC=CC=C3.C(C(C(=O)[O-])O)C(=O)O

Isomeric SMILES

CC\1=C(C(=O)NC(=O)/C1=N/NC2=CC=CC=C2)[N+]3=CC=CC=C3.C(C(C(=O)[O-])O)C(=O)O

InChI

InChI=1S/C17H14N4O2.C4H6O5/c1-12-14(20-19-13-8-4-2-5-9-13)16(22)18-17(23)15(12)21-10-6-3-7-11-21;5-2(4(8)9)1-3(6)7/h2-11H,1H3,(H-,18,19,22,23);2,5H,1H2,(H,6,7)(H,8,9)