6-nitro-2-(1,3,5-trimethylpyrazol-4-yl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-nitro-2-(1,3,5-trimethylpyrazol-4-yl)benzo[de]isoquinoline-1,3-dione Openeye Name: 6-nitro-2-(1,3,5-trimethylpyrazol-4-yl)benzo[de]isoquinoline-1,3-dione CAS Name: 6-nitro-2-(1,3,5-trimethyl-4-pyrazolyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-nitro-2-(1,3,5-trimethylpyrazol-4-yl)benzo[de]isoquinoline-1,3-dione Traditional Name: 6-nitro-2-(1,3,5-trimethylpyrazol-4-yl)benzo[de]isoquinoline-1,3-quinone Formula: C18H14N4O4 MolecularWeight: 350.32816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

Isomeric SMILES

CC1=C(C(=NN1C)C)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

InChI

InChI=1S/C18H14N4O4/c1-9-16(10(2)20(3)19-9)21-17(23)12-6-4-5-11-14(22(25)26)8-7-13(15(11)12)18(21)24/h4-8H,1-3H3