methyl 3-(2-ethylphenyl)-4-nitro-butanoate

Systemtic Name: methyl 3-(2-ethylphenyl)-4-nitro-butanoate Openeye Name: methyl 3-(2-ethylphenyl)-4-nitro-butanoate CAS Name: 3-(2-ethylphenyl)-4-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-(2-ethylphenyl)-4-nitrobutanoate Traditional Name: 3-(2-ethylphenyl)-4-nitro-butyric acid methyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(CC(=O)OC)C[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1C(CC(=O)OC)C[N+](=O)[O-]

InChI

InChI=1S/C13H17NO4/c1-3-10-6-4-5-7-12(10)11(9-14(16)17)8-13(15)18-2/h4-7,11H,3,8-9H2,1-2H3