3-(4-hydroxyphenyl)-2-[[3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methylamino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[3-oxo-5-(phosphonooxymethyl)-4-pyridinylidene]methylamino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[3-keto-5-(phosphonooxymethyl)-4-pyridylidene]methylamino]propionic acid Formula: C16H17N2O8P MolecularWeight: 396.288541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC=C2C(=CN=CC2=O)COP(=O)(O)O)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC=C2C(=CN=CC2=O)COP(=O)(O)O)O

InChI

InChI=1S/C16H17N2O8P/c19-12-3-1-10(2-4-12)5-14(16(21)22)18-7-13-11(6-17-8-15(13)20)9-26-27(23,24)25/h1-4,6-8,14,18-19H,5,9H2,(H,21,22)(H2,23,24,25)