3-[(2E)-2-[4-methanoyl-6-methyl-5-oxidanylidene-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]-2-methyl-benzoic acid

Systemtic Name: 3-[(2E)-2-[4-methanoyl-6-methyl-5-oxidanylidene-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]-2-methyl-benzoic acid Openeye Name: 3-[(2E)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)-2-pyridylidene]hydrazino]-2-methyl-benzoic acid CAS Name: 3-[(2E)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)-2-pyridinylidene]hydrazinyl]-2-methylbenzoic acid IUPAC Name: 3-[(2E)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]-2-methylbenzoic acid Traditional Name: 3-[(N'E)-N'-[4-formyl-5-keto-6-methyl-3-(phosphonooxymethyl)-2-pyridylidene]hydrazino]-2-methyl-benzoic acid Formula: C16H16N3O8P MolecularWeight: 409.287301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NN=C2C(=C(C(=O)C(=N2)C)C=O)COP(=O)(O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1N/N=C/2\C(=C(C(=O)C(=N2)C)C=O)COP(=O)(O)O)C(=O)O

InChI

InChI=1S/C16H16N3O8P/c1-8-10(16(22)23)4-3-5-13(8)18-19-15-12(7-27-28(24,25)26)11(6-20)14(21)9(2)17-15/h3-6,18H,7H2,1-2H3,(H,22,23)(H2,24,25,26)/b19-15+