3-[5-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoic acid

Systemtic Name: 3-[5-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoic acid Openeye Name: 3-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid CAS Name: 3-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid IUPAC Name: 3-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid Traditional Name: 3-(1,3-diketo-5-methyl-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H15NO4/c1-9-5-6-12-13(7-9)15(19)17(14(12)18)11-4-2-3-10(8-11)16(20)21/h2-5,8,12-13H,6-7H2,1H3,(H,20,21)