(E)-1-(1,3-dimethylpyrazol-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-dimethylpyrazol-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-(1,3-dimethylpyrazol-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-(1,3-dimethyl-4-pyrazolyl)-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(1,3-dimethylpyrazol-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(1,3-dimethylpyrazol-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H13N3O3/c1-10-13(9-16(2)15-10)14(18)7-6-11-4-3-5-12(8-11)17(19)20/h3-9H,1-2H3/b7-6+