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

Systemtic Name: 3-(4-methoxycarbonylphenyl)-4-nitro-butanoic acid Openeye Name: 3-(4-methoxycarbonylphenyl)-4-nitro-butanoic acid CAS Name: 3-(4-methoxycarbonylphenyl)-4-nitrobutanoic acid IUPAC Name: 3-(4-methoxycarbonylphenyl)-4-nitrobutanoic acid Traditional Name: 3-(4-carbomethoxyphenyl)-4-nitro-butyric acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c1-19-12(16)9-4-2-8(3-5-9)10(6-11(14)15)7-13(17)18/h2-5,10H,6-7H2,1H3,(H,14,15)