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

Systemtic Name: 3-(4-methoxyphenyl)-4-nitro-butanoic acid Openeye Name: 3-(4-methoxyphenyl)-4-nitro-butanoic acid CAS Name: 3-(4-methoxyphenyl)-4-nitrobutanoic acid IUPAC Name: 3-(4-methoxyphenyl)-4-nitrobutanoic acid Traditional Name: 3-(4-methoxyphenyl)-4-nitro-butyric acid Formula: C11H13NO5 MolecularWeight: 239.22462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)O)C[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)O)C[N+](=O)[O-]

InChI

InChI=1S/C11H13NO5/c1-17-10-4-2-8(3-5-10)9(6-11(13)14)7-12(15)16/h2-5,9H,6-7H2,1H3,(H,13,14)