2-(4-chlorophenyl)-6,6-dimethyl-3,8-bis(oxidanylidene)-5,7-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-6,6-dimethyl-3,8-bis(oxidanylidene)-5,7-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-6,6-dimethyl-3,8-dioxo-5,7-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-(4-chlorophenyl)-6,6-dimethyl-3,8-dioxo-5,7-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-(4-chlorophenyl)-6,6-dimethyl-3,8-dioxo-5,7-dihydroisoquinoline-4-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-3,8-diketo-6,6-dimethyl-5,7-dihydroisoquinoline-4-carboxylic acid Formula: C18H16ClNO4 MolecularWeight: 345.77694

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)N(C=C2C(=O)C1)C3=CC=C(C=C3)Cl)C(=O)O)C

Isomeric SMILES

CC1(CC2=C(C(=O)N(C=C2C(=O)C1)C3=CC=C(C=C3)Cl)C(=O)O)C

InChI

InChI=1S/C18H16ClNO4/c1-18(2)7-12-13(14(21)8-18)9-20(16(22)15(12)17(23)24)11-5-3-10(19)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,23,24)