2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]-5-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[(2,5-dimethyl-4-nitro-3-pyrazolyl)amino]-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[(2,5-dimethyl-4-nitropyrazol-3-yl)amino]-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C17H12N6O6 MolecularWeight: 396.31378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])NN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])NN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])C

InChI

InChI=1S/C17H12N6O6/c1-8-14(23(28)29)15(20(2)18-8)19-21-16(24)11-5-3-4-9-6-10(22(26)27)7-12(13(9)11)17(21)25/h3-7,19H,1-2H3