1-[3,6-dimethyl-4-(4-nitrophenyl)-6-oxidanyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone

Systemtic Name: 1-[3,6-dimethyl-4-(4-nitrophenyl)-6-oxidanyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone Openeye Name: 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-2,4,5,7-tetrahydroindazol-5-yl]ethanone CAS Name: 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-2,4,5,7-tetrahydroindazol-5-yl]ethanone IUPAC Name: 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-2,4,5,7-tetrahydroindazol-5-yl]ethanone Traditional Name: 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-2,4,5,7-tetrahydroindazol-5-yl]ethanone Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(C(CC2=NN1)(C)O)C(=O)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(C(C(CC2=NN1)(C)O)C(=O)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4/c1-9-14-13(19-18-9)8-17(3,22)16(10(2)21)15(14)11-4-6-12(7-5-11)20(23)24/h4-7,15-16,22H,8H2,1-3H3,(H,18,19)