3-cyano-5-methoxycarbonyl-benzoic acid

Systemtic Name: 3-cyano-5-methoxycarbonyl-benzoic acid Openeye Name: 3-cyano-5-methoxycarbonyl-benzoic acid CAS Name: 3-cyano-5-methoxycarbonylbenzoic acid IUPAC Name: 3-cyano-5-methoxycarbonylbenzoic acid Traditional Name: 3-carbomethoxy-5-cyano-benzoic acid Formula: C10H7NO4 MolecularWeight: 205.16688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)O)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)O)C#N

InChI

InChI=1S/C10H7NO4/c1-15-10(14)8-3-6(5-11)2-7(4-8)9(12)13/h2-4H,1H3,(H,12,13)