4-[[2-methyl-3-oxidanylidene-5-(phosphonatooxymethyl)pyridin-4-ylidene]methylamino]butanoate

Systemtic Name: 4-[[2-methyl-3-oxidanylidene-5-(phosphonatooxymethyl)pyridin-4-ylidene]methylamino]butanoate Openeye Name: 4-[[2-methyl-3-oxo-5-(phosphonatooxymethyl)-4-pyridylidene]methylamino]butanoate CAS Name: 4-[[2-methyl-3-oxo-5-(phosphonatooxymethyl)-4-pyridinylidene]methylamino]butanoate IUPAC Name: 4-[[2-methyl-3-oxo-5-(phosphonatooxymethyl)pyridin-4-ylidene]methylamino]butanoate Traditional Name: 4-[[3-keto-2-methyl-5-(phosphatomethyl)-4-pyridylidene]methylamino]butyrate Formula: C12H14N2O7P-3 MolecularWeight: 329.222521

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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(=CNCCCC(=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)/p-3