4-nitro-2-[[[4-(3-phenyl-1-adamantyl)phenyl]amino]methyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[[[4-(3-phenyl-1-adamantyl)phenyl]amino]methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[[4-(3-phenyl-1-adamantyl)anilino]methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[[4-(3-phenyl-1-adamantyl)anilino]methyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[[4-(3-phenyl-1-adamantyl)anilino]methyl]isoindole-1,3-dione Traditional Name: 4-nitro-2-[[4-(3-phenyl-1-adamantyl)anilino]methyl]isoindoline-1,3-quinone Formula: C31H29N3O4 MolecularWeight: 507.57966

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)NCN5C(=O)C6=C(C5=O)C(=CC=C6)[N+](=O)[O-])C7=CC=CC=C7

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)NCN5C(=O)C6=C(C5=O)C(=CC=C6)[N+](=O)[O-])C7=CC=CC=C7

InChI

InChI=1S/C31H29N3O4/c35-28-25-7-4-8-26(34(37)38)27(25)29(36)33(28)19-32-24-11-9-23(10-12-24)31-16-20-13-21(17-31)15-30(14-20,18-31)22-5-2-1-3-6-22/h1-12,20-21,32H,13-19H2