5-(azepan-1-yl)-2-(4-methylphenyl)-6-nitro-isoindole-1,3-dione

Systemtic Name: 5-(azepan-1-yl)-2-(4-methylphenyl)-6-nitro-isoindole-1,3-dione Openeye Name: 5-(azepan-1-yl)-6-nitro-2-(p-tolyl)isoindoline-1,3-dione CAS Name: 5-(1-azepanyl)-2-(4-methylphenyl)-6-nitroisoindole-1,3-dione IUPAC Name: 5-(azepan-1-yl)-2-(4-methylphenyl)-6-nitroisoindole-1,3-dione Traditional Name: 5-(azepan-1-yl)-6-nitro-2-(p-tolyl)isoindoline-1,3-quinone Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])N4CCCCCC4

InChI

InChI=1S/C21H21N3O4/c1-14-6-8-15(9-7-14)23-20(25)16-12-18(22-10-4-2-3-5-11-22)19(24(27)28)13-17(16)21(23)26/h6-9,12-13H,2-5,10-11H2,1H3