4-[[(E)-2-nitro-2-[(1R)-3-oxidanylidene-1H-2-benzofuran-1-yl]ethenyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-nitro-2-[(1R)-3-oxidanylidene-1H-2-benzofuran-1-yl]ethenyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-nitro-2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]vinyl]amino]benzoic acid CAS Name: 4-[[(E)-2-nitro-2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]ethenyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-nitro-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]ethenyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-[(1R)-3-ketophthalan-1-yl]-2-nitro-vinyl]amino]benzoic acid Formula: C17H12N2O6 MolecularWeight: 340.28698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)C(=CNC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H](OC2=O)/C(=C\NC3=CC=C(C=C3)C(=O)O)/[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O6/c20-16(21)10-5-7-11(8-6-10)18-9-14(19(23)24)15-12-3-1-2-4-13(12)17(22)25-15/h1-9,15,18H,(H,20,21)/b14-9+/t15-/m1/s1