2-[[(4-methoxy-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(4-methoxy-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(4-methoxy-5-oxo-cyclohepta-1,3,6-trien-1-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(4-methoxy-5-oxo-1-cyclohepta-1,3,6-trienyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(5-keto-4-methoxy-cyclohepta-1,3,6-trien-1-yl)amino]methylene]malonic acid Formula: C12H11NO6 MolecularWeight: 265.21884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=CC1=O)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=CC1=O)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C12H11NO6/c1-19-10-5-3-7(2-4-9(10)14)13-6-8(11(15)16)12(17)18/h2-6,13H,1H3,(H,15,16)(H,17,18)