2-(azepin-1-ylmethyl)-3-phosphono-butanedioic acid

Systemtic Name: 2-(azepin-1-ylmethyl)-3-phosphono-butanedioic acid Openeye Name: 2-(azepin-1-ylmethyl)-3-phosphono-butanedioic acid CAS Name: 2-(1-azepinylmethyl)-3-phosphonobutanedioic acid IUPAC Name: 2-(azepin-1-ylmethyl)-3-phosphonobutanedioic acid Traditional Name: 2-(azepin-1-ylmethyl)-3-phosphono-succinic acid Formula: C11H14NO7P MolecularWeight: 303.205121

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CN(C=C1)CC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CC=CN(C=C1)CC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C11H14NO7P/c13-10(14)8(9(11(15)16)20(17,18)19)7-12-5-3-1-2-4-6-12/h1-6,8-9H,7H2,(H,13,14)(H,15,16)(H2,17,18,19)