(E)-N-(1-methylpyrazol-3-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(1-methylpyrazol-3-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(1-methylpyrazol-3-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(1-methyl-3-pyrazolyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(1-methylpyrazol-3-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(1-methylpyrazol-3-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C14H12N4O5 MolecularWeight: 316.26888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CN1C=CC(=N1)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C14H12N4O5/c1-17-5-4-13(16-17)15-14(19)3-2-9-6-11-12(23-8-22-11)7-10(9)18(20)21/h2-7H,8H2,1H3,(H,15,16,19)/b3-2+