1-[3,5-dimethyl-1-(3-nitrophenyl)carbonyl-pyrazol-4-yl]ethanone

Systemtic Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)carbonyl-pyrazol-4-yl]ethanone Openeye Name: 1-[3,5-dimethyl-1-(3-nitrobenzoyl)pyrazol-4-yl]ethanone CAS Name: 1-[3,5-dimethyl-1-[(3-nitrophenyl)-oxomethyl]-4-pyrazolyl]ethanone IUPAC Name: 1-[3,5-dimethyl-1-(3-nitrobenzoyl)pyrazol-4-yl]ethanone Traditional Name: 1-[3,5-dimethyl-1-(3-nitrobenzoyl)pyrazol-4-yl]ethanone Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)C

InChI

InChI=1S/C14H13N3O4/c1-8-13(10(3)18)9(2)16(15-8)14(19)11-5-4-6-12(7-11)17(20)21/h4-7H,1-3H3