2-[(3-ethynylphenyl)carbamoyl]benzoic acid

Systemtic Name: 2-[(3-ethynylphenyl)carbamoyl]benzoic acid Openeye Name: 2-[(3-ethynylphenyl)carbamoyl]benzoic acid CAS Name: 2-[(3-ethynylanilino)-oxomethyl]benzoic acid IUPAC Name: 2-[(3-ethynylphenyl)carbamoyl]benzoic acid Traditional Name: 2-[(3-ethynylphenyl)carbamoyl]benzoic acid Formula: C16H11NO3 MolecularWeight: 265.26344

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H11NO3/c1-2-11-6-5-7-12(10-11)17-15(18)13-8-3-4-9-14(13)16(19)20/h1,3-10H,(H,17,18)(H,19,20)