(4-aminocarbonyl-2-nitro-phenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OCC#N

InChI

InChI=1S/C20H17N3O7/c1-28-18-10-13(2-6-17(18)29-9-8-21)3-7-19(24)30-12-15-5-4-14(20(22)25)11-16(15)23(26)27/h2-7,10-11H,9,12H2,1H3,(H2,22,25)/b7-3+