2-[3-nitro-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[3-nitro-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-nitro-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-nitro-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-nitro-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-nitro-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)C3=C(C=C(C=C3)N4C(=O)C5CC=CCC5C4=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)C3=C(C=C(C=C3)N4C(=O)C5CC=CCC5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O4/c29-24-20-8-4-5-9-21(20)25(30)27(24)19-10-11-22(23(16-19)28(31)32)26-14-12-18(13-15-26)17-6-2-1-3-7-17/h1-7,10-12,16,20-21H,8-9,13-15H2