4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoic acid Openeye Name: 4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid CAS Name: 4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid IUPAC Name: 4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid Traditional Name: 4-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H13NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-2,5-8,11-12H,3-4H2,(H,19,20)