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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-methoxy-benzoic acid Openeye Name: 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methoxy-benzoic acid CAS Name: 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methoxybenzoic acid IUPAC Name: 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methoxybenzoic acid Traditional Name: 3-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methoxy-benzoic acid Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)N2C(=O)C3CC=CCC3C2=O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)N2C(=O)C3CC=CCC3C2=O

InChI

InChI=1S/C16H15NO5/c1-22-13-7-6-9(16(20)21)8-12(13)17-14(18)10-4-2-3-5-11(10)15(17)19/h2-3,6-8,10-11H,4-5H2,1H3,(H,20,21)