N-methyl-4-[[methyl-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]methyl]benzamide

Systemtic Name: N-methyl-4-[[methyl-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]methyl]benzamide Openeye Name: N-methyl-4-[[methyl-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]methyl]benzamide CAS Name: N-methyl-4-[[methyl-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]methyl]benzamide IUPAC Name: N-methyl-4-[[methyl-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]methyl]benzamide Traditional Name: N-methyl-4-[[methyl-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]methyl]benzamide Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C20H19N3O6/c1-21-20(25)14-5-3-13(4-6-14)11-22(2)19(24)8-7-15-9-17-18(29-12-28-17)10-16(15)23(26)27/h3-10H,11-12H2,1-2H3,(H,21,25)/b8-7+