2-[[2-[[(5-chloranyl-1H-indol-2-yl)carbonylamino]carbamoyl]phenyl]carbamoyloxymethyl]-2-methyl-propanedioic acid

Systemtic Name: 2-[[2-[[(5-chloranyl-1H-indol-2-yl)carbonylamino]carbamoyl]phenyl]carbamoyloxymethyl]-2-methyl-propanedioic acid Openeye Name: 2-[[2-[[(5-chloro-1H-indole-2-carbonyl)amino]carbamoyl]phenyl]carbamoyloxymethyl]-2-methyl-propanedioic acid CAS Name: 2-[[[2-[[[(5-chloro-1H-indol-2-yl)-oxomethyl]hydrazo]-oxomethyl]anilino]-oxomethoxy]methyl]-2-methylpropanedioic acid IUPAC Name: 2-[[2-[[(5-chloro-1H-indole-2-carbonyl)amino]carbamoyl]phenyl]carbamoyloxymethyl]-2-methylpropanedioic acid Traditional Name: 2-[[2-[[(5-chloro-1H-indole-2-carbonyl)amino]carbamoyl]phenyl]carbamoyloxymethyl]-2-methyl-malonic acid Formula: C22H19ClN4O8 MolecularWeight: 502.86126

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)NC1=CC=CC=C1C(=O)NNC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)(C(=O)O)C(=O)O

Isomeric SMILES

CC(COC(=O)NC1=CC=CC=C1C(=O)NNC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)(C(=O)O)C(=O)O

InChI

InChI=1S/C22H19ClN4O8/c1-22(19(30)31,20(32)33)10-35-21(34)25-15-5-3-2-4-13(15)17(28)26-27-18(29)16-9-11-8-12(23)6-7-14(11)24-16/h2-9,24H,10H2,1H3,(H,25,34)(H,26,28)(H,27,29)(H,30,31)(H,32,33)