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

Systemtic Name: methyl (E)-2-(nitromethyl)-2-oxidanyl-4-phenyl-but-3-enoate Openeye Name: methyl (E)-2-hydroxy-2-(nitromethyl)-4-phenyl-but-3-enoate CAS Name: (E)-2-hydroxy-2-(nitromethyl)-4-phenyl-3-butenoic acid methyl ester IUPAC Name: methyl (E)-2-hydroxy-2-(nitromethyl)-4-phenylbut-3-enoate Traditional Name: (E)-2-hydroxy-2-(nitromethyl)-4-phenyl-but-3-enoic acid methyl ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-18-11(14)12(15,9-13(16)17)8-7-10-5-3-2-4-6-10/h2-8,15H,9H2,1H3/b8-7+