2-[4-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)butyl]isoindoline-1,3-quinone Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])CCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])CCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N3O4/c25-20-18-5-1-2-6-19(18)21(26)23(20)11-4-3-10-22-12-9-15-7-8-17(24(27)28)13-16(15)14-22/h1-2,5-8,13H,3-4,9-12,14H2