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

Systemtic Name: (E)-2-cyano-N-(2-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(o-tolyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(2-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(o-tolyl)acrylamide Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C(=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/C#N

InChI

InChI=1S/C18H13N3O5/c1-11-4-2-3-5-14(11)20-18(22)13(9-19)6-12-7-16-17(26-10-25-16)8-15(12)21(23)24/h2-8H,10H2,1H3,(H,20,22)/b13-6+