(E)-1-(1,3-dimethylpyrazol-4-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-dimethylpyrazol-4-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Openeye Name: (E)-1-(1,3-dimethylpyrazol-4-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one CAS Name: (E)-1-(1,3-dimethyl-4-pyrazolyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propen-1-one IUPAC Name: (E)-1-(1,3-dimethylpyrazol-4-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Traditional Name: (E)-1-(1,3-dimethylpyrazol-4-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

Isomeric SMILES

CC1=NN(C=C1C(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

InChI

InChI=1S/C15H13N3O5/c1-9-11(7-17(2)16-9)13(19)4-3-10-5-14-15(23-8-22-14)6-12(10)18(20)21/h3-7H,8H2,1-2H3/b4-3+