4-[[(Z)-[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]butanoic acid

Systemtic Name: 4-[[(Z)-[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]butanoic acid Openeye Name: 4-[[(Z)-[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methyl]amino]butanoic acid CAS Name: 4-[[(Z)-[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridinylidene]methyl]amino]butanoic acid IUPAC Name: 4-[[(Z)-[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]butanoic acid Traditional Name: 4-[[(Z)-[3-keto-2-methyl-5-(phosphonooxymethyl)-4-pyridylidene]methyl]amino]butyric acid Formula: C12H17N2O7P MolecularWeight: 332.246341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCCCC(=O)O)C1=O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(/C(=C/NCCCC(=O)O)/C1=O)COP(=O)(O)O

InChI

InChI=1S/C12H17N2O7P/c1-8-12(17)10(6-13-4-2-3-11(15)16)9(5-14-8)7-21-22(18,19)20/h5-6,13H,2-4,7H2,1H3,(H,15,16)(H2,18,19,20)/b10-6-