(Z)-2-cyano-N-(4-methoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (Z)-2-cyano-N-(4-methoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (Z)-2-cyano-N-(4-methoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (Z)-2-cyano-N-(4-methoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (Z)-2-cyano-N-(4-methoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (Z)-2-cyano-N-(4-methoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/C#N

InChI

InChI=1S/C18H13N3O6/c1-25-14-4-2-13(3-5-14)20-18(22)12(9-19)6-11-7-16-17(27-10-26-16)8-15(11)21(23)24/h2-8H,10H2,1H3,(H,20,22)/b12-6-