(E)-N-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide

Systemtic Name: (E)-N-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide Openeye Name: (E)-N-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide CAS Name: (E)-N-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1-phenyl-4-pyrazolyl)methyl]-2-propenamide IUPAC Name: (E)-N-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide Traditional Name: (E)-N-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acrylamide Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C21H18N4O5/c1-23(12-15-11-22-24(13-15)17-5-3-2-4-6-17)21(26)8-7-16-9-19-20(30-14-29-19)10-18(16)25(27)28/h2-11,13H,12,14H2,1H3/b8-7+