methyl 3-(2,4-dimethylphenyl)-4-nitro-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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