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

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl (E)-3-(4-isobutoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-propenoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-(4-isobutoxy-3-methoxy-phenyl)acrylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O7/c1-14(2)12-30-19-8-4-15(10-20(19)29-3)5-9-21(25)31-13-17-7-6-16(22(23)26)11-18(17)24(27)28/h4-11,14H,12-13H2,1-3H3,(H2,23,26)/b9-5+