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

Systemtic Name: (4-nitrophenyl) 4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoate Openeye Name: (4-nitrophenyl) 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate CAS Name: 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate Traditional Name: 4-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid (4-nitrophenyl) ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6/c24-19-17-3-1-2-4-18(17)20(25)22(19)14-7-5-13(6-8-14)21(26)29-16-11-9-15(10-12-16)23(27)28/h5-12,17-18H,1-4H2