2-(3,5-dimethyl-1H-pyrazol-4-yl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5,8-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5,8-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5,8-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C17H11N5O6 MolecularWeight: 381.29914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H11N5O6/c1-7-15(8(2)19-18-7)20-16(23)12-5-10(21(25)26)3-9-4-11(22(27)28)6-13(14(9)12)17(20)24/h3-6H,1-2H3,(H,18,19)