1-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]cyclopropane-1-carboxylic acid Openeye Name: 1-[(1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]cyclopropanecarboxylic acid CAS Name: 1-[[(1-chloro-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]cyclopropane-1-carboxylic acid Traditional Name: 1-[(1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]cyclopropanecarboxylic acid Formula: C14H11ClN2O4 MolecularWeight: 306.70114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)O)NC(=O)C2=C(C3=CC=CC=C3C(=N2)Cl)O

Isomeric SMILES

C1CC1(C(=O)O)NC(=O)C2=C(C3=CC=CC=C3C(=N2)Cl)O

InChI

InChI=1S/C14H11ClN2O4/c15-11-8-4-2-1-3-7(8)10(18)9(16-11)12(19)17-14(5-6-14)13(20)21/h1-4,18H,5-6H2,(H,17,19)(H,20,21)