methyl 2-(nitromethyl)-3-phenyl-propanoate

Systemtic Name: methyl 2-(nitromethyl)-3-phenyl-propanoate Openeye Name: methyl 2-benzyl-3-nitro-propanoate CAS Name: 2-(nitromethyl)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-benzyl-3-nitropropanoate Traditional Name: 2-benzyl-3-nitro-propionic acid methyl ester Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-16-11(13)10(8-12(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3