phenacyl 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-nitro-benzoate

Systemtic Name: phenacyl 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-nitro-benzoate Openeye Name: phenacyl 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-nitro-benzoate CAS Name: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-nitrobenzoic acid phenacyl ester IUPAC Name: phenacyl 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-nitrobenzoate Traditional Name: 2-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-nitro-benzoic acid phenacyl ester Formula: C23H18N2O7 MolecularWeight: 434.39822

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H18N2O7/c26-20(14-6-2-1-3-7-14)13-32-23(29)18-11-10-15(25(30)31)12-19(18)24-21(27)16-8-4-5-9-17(16)22(24)28/h1-7,10-12,16-17H,8-9,13H2