6,6-dimethyl-3-(3-nitrophenyl)-2-phenyl-5,7-dihydroindazol-4-one

Systemtic Name: 6,6-dimethyl-3-(3-nitrophenyl)-2-phenyl-5,7-dihydroindazol-4-one Openeye Name: 6,6-dimethyl-3-(3-nitrophenyl)-2-phenyl-5,7-dihydroindazol-4-one CAS Name: 6,6-dimethyl-3-(3-nitrophenyl)-2-phenyl-5,7-dihydroindazol-4-one IUPAC Name: 6,6-dimethyl-3-(3-nitrophenyl)-2-phenyl-5,7-dihydroindazol-4-one Traditional Name: 6,6-dimethyl-3-(3-nitrophenyl)-2-phenyl-5,7-dihydroindazol-4-one Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NN(C(=C2C(=O)C1)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=NN(C(=C2C(=O)C1)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C21H19N3O3/c1-21(2)12-17-19(18(25)13-21)20(14-7-6-10-16(11-14)24(26)27)23(22-17)15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3