2-(1,3-dimethylpyrazol-4-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(1,3-dimethylpyrazol-4-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(1,3-dimethylpyrazol-4-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(1,3-dimethyl-4-pyrazolyl)-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-dimethylpyrazol-4-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(1,3-dimethylpyrazol-4-yl)-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C17H12N4O4 MolecularWeight: 336.30158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O)C

Isomeric SMILES

CC1=NN(C=C1N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O)C

InChI

InChI=1S/C17H12N4O4/c1-9-14(8-19(2)18-9)20-16(22)11-5-3-4-10-13(21(24)25)7-6-12(15(10)11)17(20)23/h3-8H,1-2H3