3-[(6-carboxycyclohex-3-en-1-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(6-carboxycyclohex-3-en-1-yl)carbonylamino]benzoic acid Openeye Name: 3-[(6-carboxycyclohex-3-ene-1-carbonyl)amino]benzoic acid CAS Name: 3-[[(6-carboxy-1-cyclohex-3-enyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(6-carboxycyclohex-3-ene-1-carbonyl)amino]benzoic acid Traditional Name: 3-[(6-carboxycyclohex-3-ene-1-carbonyl)amino]benzoic acid Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H15NO5/c17-13(11-6-1-2-7-12(11)15(20)21)16-10-5-3-4-9(8-10)14(18)19/h1-5,8,11-12H,6-7H2,(H,16,17)(H,18,19)(H,20,21)