2-acetyloxy-5-[(6-carboxy-3-chloranyl-cyclohex-3-en-1-yl)carbonylamino]benzoic acid

Systemtic Name: 2-acetyloxy-5-[(6-carboxy-3-chloranyl-cyclohex-3-en-1-yl)carbonylamino]benzoic acid Openeye Name: 2-acetoxy-5-[(6-carboxy-3-chloro-cyclohex-3-ene-1-carbonyl)amino]benzoic acid CAS Name: 2-acetyloxy-5-[[(6-carboxy-3-chloro-1-cyclohex-3-enyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-acetyloxy-5-[(6-carboxy-3-chlorocyclohex-3-ene-1-carbonyl)amino]benzoic acid Traditional Name: 2-acetoxy-5-[(6-carboxy-3-chloro-cyclohex-3-ene-1-carbonyl)amino]benzoic acid Formula: C17H16ClNO7 MolecularWeight: 381.76444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)NC(=O)C2CC(=CCC2C(=O)O)Cl)C(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)NC(=O)C2CC(=CCC2C(=O)O)Cl)C(=O)O

InChI

InChI=1S/C17H16ClNO7/c1-8(20)26-14-5-3-10(7-13(14)17(24)25)19-15(21)12-6-9(18)2-4-11(12)16(22)23/h2-3,5,7,11-12H,4,6H2,1H3,(H,19,21)(H,22,23)(H,24,25)