3-(4-methylphenyl)-4-nitro-butanoic acid

Systemtic Name: 3-(4-methylphenyl)-4-nitro-butanoic acid Openeye Name: 4-nitro-3-(p-tolyl)butanoic acid CAS Name: 3-(4-methylphenyl)-4-nitrobutanoic acid IUPAC Name: 3-(4-methylphenyl)-4-nitrobutanoic acid Traditional Name: 4-nitro-3-(p-tolyl)butyric acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-8-2-4-9(5-3-8)10(6-11(13)14)7-12(15)16/h2-5,10H,6-7H2,1H3,(H,13,14)