(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]prop-2-enamide Openeye Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]prop-2-enamide CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]prop-2-enamide Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-N-(2-hydroxy-5-nitro-benzyl)acrylamide Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl)OC

InChI

InChI=1S/C18H17ClN2O6/c1-26-16-8-11(7-14(19)18(16)27-2)3-6-17(23)20-10-12-9-13(21(24)25)4-5-15(12)22/h3-9,22H,10H2,1-2H3,(H,20,23)/b6-3+