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

Systemtic Name: (E)-1-(1-ethylpyrazol-3-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Openeye Name: (E)-1-(1-ethylpyrazol-3-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one CAS Name: (E)-1-(1-ethyl-3-pyrazolyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propen-1-one IUPAC Name: (E)-1-(1-ethylpyrazol-3-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Traditional Name: (E)-1-(1-ethylpyrazol-3-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:

CCN1C=CC(=N1)C(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCN1C=CC(=N1)C(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

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