3,3-dimethyl-1-(5-nitro-3-phenyl-indazol-1-yl)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(5-nitro-3-phenyl-indazol-1-yl)butan-2-one Openeye Name: 3,3-dimethyl-1-(5-nitro-3-phenyl-indazol-1-yl)butan-2-one CAS Name: 3,3-dimethyl-1-(5-nitro-3-phenyl-1-indazolyl)-2-butanone IUPAC Name: 3,3-dimethyl-1-(5-nitro-3-phenylindazol-1-yl)butan-2-one Traditional Name: 3,3-dimethyl-1-(5-nitro-3-phenyl-indazol-1-yl)butan-2-one Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3/c1-19(2,3)17(23)12-21-16-10-9-14(22(24)25)11-15(16)18(20-21)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3