3-(phosphorosomethoxycarbonyl)isoquinoline-2,3-dicarboxylic acid

Systemtic Name: 3-(phosphorosomethoxycarbonyl)isoquinoline-2,3-dicarboxylic acid Openeye Name: 3-(phosphorosomethoxycarbonyl)isoquinoline-2,3-dicarboxylic acid CAS Name: 3-[oxo(phosphorosomethoxy)methyl]isoquinoline-2,3-dicarboxylic acid IUPAC Name: 3-(phosphorosomethoxycarbonyl)isoquinoline-2,3-dicarboxylic acid Traditional Name: 3-(phosphorosomethoxycarbonyl)isoquinoline-2,3-dicarboxylic acid Formula: C13H10NO7P MolecularWeight: 323.194761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(N(C=C2C=C1)C(=O)O)(C(=O)O)C(=O)OCP=O

Isomeric SMILES

C1=CC2=CC(N(C=C2C=C1)C(=O)O)(C(=O)O)C(=O)OCP=O

InChI

InChI=1S/C13H10NO7P/c15-10(16)13(11(17)21-7-22-20)5-8-3-1-2-4-9(8)6-14(13)12(18)19/h1-6H,7H2,(H,15,16)(H,18,19)