2-(6-chloranyl-1H-indazol-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-5-carboxylic acid

Systemtic Name: 2-(6-chloranyl-1H-indazol-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-5-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-2-(6-chloro-1H-indazol-3-yl)indole-5-carboxylic acid CAS Name: 2-(6-chloro-1H-indazol-3-yl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-indolecarboxylic acid IUPAC Name: 2-(6-chloro-1H-indazol-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-5-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-2-(6-chloro-1H-indazol-3-yl)indole-5-carboxylic acid Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C(=O)O)C=C1C3=NNC4=C3C=CC(=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C(=O)O)C=C1C3=NNC4=C3C=CC(=C4)Cl

InChI

InChI=1S/C21H18ClN3O4/c1-21(2,3)29-20(28)25-16-7-4-11(19(26)27)8-12(16)9-17(25)18-14-6-5-13(22)10-15(14)23-24-18/h4-10H,1-3H3,(H,23,24)(H,26,27)