methyl 3-(nitromethyl)-4-phenyl-butanoate

Systemtic Name: methyl 3-(nitromethyl)-4-phenyl-butanoate Openeye Name: methyl 3-benzyl-4-nitro-butanoate CAS Name: 3-(nitromethyl)-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 3-benzyl-4-nitrobutanoate Traditional Name: 3-benzyl-4-nitro-butyric acid methyl ester Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-17-12(14)8-11(9-13(15)16)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3