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

Systemtic Name: (E)-2-[(4-azanyl-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid Openeye Name: (E)-2-[(4-amino-5-oxo-cyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid CAS Name: (E)-2-[(4-amino-5-oxo-1-cyclohepta-1,3,6-trienyl)amino]-2-butenedioic acid IUPAC Name: (E)-2-[(4-amino-5-oxocyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid Traditional Name: (E)-2-[(4-amino-5-keto-cyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid Formula: C11H10N2O5 MolecularWeight: 250.2075

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC=C1NC(=CC(=O)O)C(=O)O)N

Isomeric SMILES

C1=CC(=O)C(=CC=C1N/C(=C/C(=O)O)/C(=O)O)N

InChI

InChI=1S/C11H10N2O5/c12-7-3-1-6(2-4-9(7)14)13-8(11(17)18)5-10(15)16/h1-5,13H,(H2,12,14)(H,15,16)(H,17,18)/b8-5+