methyl (E)-4-(4-chlorophenyl)-2-(nitromethyl)-2-oxidanyl-but-3-enoate

Systemtic Name: methyl (E)-4-(4-chlorophenyl)-2-(nitromethyl)-2-oxidanyl-but-3-enoate Openeye Name: methyl (E)-4-(4-chlorophenyl)-2-hydroxy-2-(nitromethyl)but-3-enoate CAS Name: (E)-4-(4-chlorophenyl)-2-hydroxy-2-(nitromethyl)-3-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(4-chlorophenyl)-2-hydroxy-2-(nitromethyl)but-3-enoate Traditional Name: (E)-4-(4-chlorophenyl)-2-hydroxy-2-(nitromethyl)but-3-enoic acid methyl ester Formula: C12H12ClNO5 MolecularWeight: 285.68038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO5/c1-19-11(15)12(16,8-14(17)18)7-6-9-2-4-10(13)5-3-9/h2-7,16H,8H2,1H3/b7-6+