3,6,6-trimethyl-1-(4-nitrophenyl)-7H-indazole-4,5-dione

Systemtic Name: 3,6,6-trimethyl-1-(4-nitrophenyl)-7H-indazole-4,5-dione Openeye Name: 3,6,6-trimethyl-1-(4-nitrophenyl)-7H-indazole-4,5-dione CAS Name: 3,6,6-trimethyl-1-(4-nitrophenyl)-7H-indazole-4,5-dione IUPAC Name: 3,6,6-trimethyl-1-(4-nitrophenyl)-7H-indazole-4,5-dione Traditional Name: 3,6,6-trimethyl-1-(4-nitrophenyl)-7H-indazole-4,5-quinone Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=O)C(=O)C(C2)(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C2=C1C(=O)C(=O)C(C2)(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4/c1-9-13-12(8-16(2,3)15(21)14(13)20)18(17-9)10-4-6-11(7-5-10)19(22)23/h4-7H,8H2,1-3H3