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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=NN2C)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=NN2C)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

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