(4-chlorophenyl) 3-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoate

Systemtic Name: (4-chlorophenyl) 3-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoate Openeye Name: (4-chlorophenyl) 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate CAS Name: 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate Traditional Name: 3-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid (4-chlorophenyl) ester Formula: C21H18ClNO4 MolecularWeight: 383.82492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClNO4/c22-14-8-10-16(11-9-14)27-21(26)13-4-3-5-15(12-13)23-19(24)17-6-1-2-7-18(17)20(23)25/h3-5,8-12,17-18H,1-2,6-7H2