3,6,6-trimethyl-1-(3-nitrophenyl)-5,7-dihydroindazol-4-one

Systemtic Name: 3,6,6-trimethyl-1-(3-nitrophenyl)-5,7-dihydroindazol-4-one Openeye Name: 3,6,6-trimethyl-1-(3-nitrophenyl)-5,7-dihydroindazol-4-one CAS Name: 3,6,6-trimethyl-1-(3-nitrophenyl)-5,7-dihydroindazol-4-one IUPAC Name: 3,6,6-trimethyl-1-(3-nitrophenyl)-5,7-dihydroindazol-4-one Traditional Name: 3,6,6-trimethyl-1-(3-nitrophenyl)-5,7-dihydroindazol-4-one Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3/c1-10-15-13(8-16(2,3)9-14(15)20)18(17-10)11-5-4-6-12(7-11)19(21)22/h4-7H,8-9H2,1-3H3