(E)-2-[(3-methoxy-4-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid

Systemtic Name: (E)-2-[(3-methoxy-4-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid Openeye Name: (E)-2-[(4-hydroxy-3-methoxy-5-oxo-cyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid CAS Name: (E)-2-[(4-hydroxy-3-methoxy-5-oxo-1-cyclohepta-1,3,6-trienyl)amino]-2-butenedioic acid IUPAC Name: (E)-2-[(4-hydroxy-3-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid Traditional Name: (E)-2-[(4-hydroxy-5-keto-3-methoxy-cyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid Formula: C12H11NO7 MolecularWeight: 281.21824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C=CC(=C1)NC(=CC(=O)O)C(=O)O)O

Isomeric SMILES

COC1=C(C(=O)C=CC(=C1)N/C(=C/C(=O)O)/C(=O)O)O

InChI

InChI=1S/C12H11NO7/c1-20-9-4-6(2-3-8(14)11(9)17)13-7(12(18)19)5-10(15)16/h2-5,13H,1H3,(H,14,17)(H,15,16)(H,18,19)/b7-5+