4-chloranyl-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]benzoic acid Openeye Name: 4-chloro-3-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]benzoic acid CAS Name: 4-chloro-3-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]benzoic acid Formula: C16H12ClNO5 MolecularWeight: 333.72318

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C16H12ClNO5/c17-10-6-5-9(16(20)21)7-11(10)18-15(19)14-8-22-12-3-1-2-4-13(12)23-14/h1-7,14H,8H2,(H,18,19)(H,20,21)/t14-/m0/s1