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

Systemtic Name: (E)-2-[(4-oxidanyl-5-oxidanylidene-3-phenoxy-cyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid Openeye Name: (E)-2-[(4-hydroxy-5-oxo-3-phenoxy-cyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid CAS Name: (E)-2-[(4-hydroxy-5-oxo-3-phenoxy-1-cyclohepta-1,3,6-trienyl)amino]-2-butenedioic acid IUPAC Name: (E)-2-[(4-hydroxy-5-oxo-3-phenoxycyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid Traditional Name: (E)-2-[(4-hydroxy-5-keto-3-phenoxy-cyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid Formula: C17H13NO7 MolecularWeight: 343.28762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C(=O)C=CC(=C2)NC(=CC(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C(=O)C=CC(=C2)N/C(=C/C(=O)O)/C(=O)O)O

InChI

InChI=1S/C17H13NO7/c19-13-7-6-10(18-12(17(23)24)9-15(20)21)8-14(16(13)22)25-11-4-2-1-3-5-11/h1-9,18H,(H,19,22)(H,20,21)(H,23,24)/b12-9+