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

Systemtic Name: (E)-2-[(4-acetamido-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid Openeye Name: (E)-2-[(4-acetamido-5-oxo-cyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid CAS Name: (E)-2-[(4-acetamido-5-oxo-1-cyclohepta-1,3,6-trienyl)amino]-2-butenedioic acid IUPAC Name: (E)-2-[(4-acetamido-5-oxocyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid Traditional Name: (E)-2-[(4-acetamido-5-keto-cyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid Formula: C13H12N2O6 MolecularWeight: 292.24418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=CC1=O)NC(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=CC1=O)N/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C13H12N2O6/c1-7(16)14-9-4-2-8(3-5-11(9)17)15-10(13(20)21)6-12(18)19/h2-6,15H,1H3,(H,18,19)(H,20,21)(H,14,16,17)/b10-6+