ethyl 2-nitro-2-(phenylmethyl)butanoate

Systemtic Name: ethyl 2-nitro-2-(phenylmethyl)butanoate Openeye Name: ethyl 2-benzyl-2-nitro-butanoate CAS Name: 2-nitro-2-(phenylmethyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-2-nitrobutanoate Traditional Name: 2-benzyl-2-nitro-butyric acid ethyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-3-13(14(16)17,12(15)18-4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3