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

Systemtic Name: methyl 3-(2-methylphenyl)-4-nitro-butanoate Openeye Name: methyl 4-nitro-3-(o-tolyl)butanoate CAS Name: 3-(2-methylphenyl)-4-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-(2-methylphenyl)-4-nitrobutanoate Traditional Name: 4-nitro-3-(o-tolyl)butyric acid methyl ester Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)OC)C[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(CC(=O)OC)C[N+](=O)[O-]

InChI

InChI=1S/C12H15NO4/c1-9-5-3-4-6-11(9)10(8-13(15)16)7-12(14)17-2/h3-6,10H,7-8H2,1-2H3