(E)-N-(2-chloranyl-4,5-dimethoxy-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(2-chloranyl-4,5-dimethoxy-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(2-chloro-4,5-dimethoxy-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(2-chloro-4,5-dimethoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(2-chloro-4,5-dimethoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(2-chloro-4,5-dimethoxy-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C18H15ClN2O7 MolecularWeight: 406.7739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C(=C1)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)Cl)OC

InChI

InChI=1S/C18H15ClN2O7/c1-25-14-6-11(19)12(7-15(14)26-2)20-18(22)4-3-10-5-16-17(28-9-27-16)8-13(10)21(23)24/h3-8H,9H2,1-2H3,(H,20,22)/b4-3+