methyl (E)-2-(cyanomethyl)-3-(5-nitro-2-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: methyl (E)-2-(cyanomethyl)-3-(5-nitro-2-oxidanyl-phenyl)prop-2-enoate Openeye Name: methyl (E)-2-(cyanomethyl)-3-(2-hydroxy-5-nitro-phenyl)prop-2-enoate CAS Name: (E)-2-(cyanomethyl)-3-(2-hydroxy-5-nitrophenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-(cyanomethyl)-3-(2-hydroxy-5-nitrophenyl)prop-2-enoate Traditional Name: (E)-2-(cyanomethyl)-3-(2-hydroxy-5-nitro-phenyl)acrylic acid methyl ester Formula: C12H10N2O5 MolecularWeight: 262.2182

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=C(C=CC(=C1)[N+](=O)[O-])O)CC#N

Isomeric SMILES

COC(=O)/C(=C/C1=C(C=CC(=C1)[N+](=O)[O-])O)/CC#N

InChI

InChI=1S/C12H10N2O5/c1-19-12(16)8(4-5-13)6-9-7-10(14(17)18)2-3-11(9)15/h2-3,6-7,15H,4H2,1H3/b8-6+