2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(3,5-dimethyl-4-nitropyrazol-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyl]isoindoline-1,3-quinone Formula: C17H18N4O4 MolecularWeight: 342.34922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCCN2C(=O)C3=CC=CC=C3C2=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCCN2C(=O)C3=CC=CC=C3C2=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4/c1-11-15(21(24)25)12(2)20(18-11)10-6-5-9-19-16(22)13-7-3-4-8-14(13)17(19)23/h3-4,7-8H,5-6,9-10H2,1-2H3