(E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(4-hydroxy-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(4-hydroxy-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(4-hydroxy-3-nitro-phenyl)acrylamide Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6/c1-26-16-6-4-13(9-17(16)27-2)20-18(23)12(10-19)7-11-3-5-15(22)14(8-11)21(24)25/h3-9,22H,1-2H3,(H,20,23)/b12-7+