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

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)N4C(=O)C5CC=CCC5C4=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)N4C(=O)C5CC=CCC5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O4/c27-22-18-7-3-4-8-19(18)23(28)25(22)17-9-10-20(21(13-17)26(29)30)24-12-11-15-5-1-2-6-16(15)14-24/h1-6,9-10,13,18-19H,7-8,11-12,14H2