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

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2-propenoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]acrylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H19N3O8 MolecularWeight: 429.38016

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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(=O)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(=O)N

InChI

InChI=1S/C20H19N3O8/c1-29-17-8-12(2-6-16(17)30-11-18(21)24)3-7-19(25)31-10-14-5-4-13(20(22)26)9-15(14)23(27)28/h2-9H,10-11H2,1H3,(H2,21,24)(H2,22,26)/b7-3+