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

Systemtic Name: 2-[[(Z)-[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]butanedioic acid Openeye Name: 2-[[(Z)-[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methyl]amino]butanedioic acid CAS Name: 2-[[(Z)-[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridinylidene]methyl]amino]butanedioic acid IUPAC Name: 2-[[(Z)-[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]butanedioic acid Traditional Name: 2-[[(Z)-[3-keto-2-methyl-5-(phosphonooxymethyl)-4-pyridylidene]methyl]amino]succinic acid Formula: C12H15N2O9P MolecularWeight: 362.229261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC(CC(=O)O)C(=O)O)C1=O)COP(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H15N2O9P/c1-6-11(17)8(4-14-9(12(18)19)2-10(15)16)7(3-13-6)5-23-24(20,21)22/h3-4,9,14H,2,5H2,1H3,(H,15,16)(H,18,19)(H2,20,21,22)/b8-4-