N-[1,3-bis(oxidanylidene)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[1,3-bis(oxidanylidene)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl]-3-nitro-benzamide Openeye Name: N-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-nitro-benzamide CAS Name: N-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-nitrobenzamide IUPAC Name: N-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-nitrobenzamide Traditional Name: N-(1,3-diketo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-nitro-benzamide Formula: C27H21N3O5 MolecularWeight: 467.47274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=CC(C3C2C(=O)N(C3=O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2C=CC(C3C2C(=O)N(C3=O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O5/c31-25(19-12-7-13-20(16-19)30(34)35)28-29-26(32)23-21(17-8-3-1-4-9-17)14-15-22(24(23)27(29)33)18-10-5-2-6-11-18/h1-16,21-24H,(H,28,31)