2-[3-(2-azidoethyl)-4-chloranyl-1H-indol-2-yl]-2-methyl-propanedioic acid

Systemtic Name: 2-[3-(2-azidoethyl)-4-chloranyl-1H-indol-2-yl]-2-methyl-propanedioic acid Openeye Name: 2-[3-(2-azidoethyl)-4-chloro-1H-indol-2-yl]-2-methyl-propanedioic acid CAS Name: 2-[3-(2-azidoethyl)-4-chloro-1H-indol-2-yl]-2-methylpropanedioic acid IUPAC Name: 2-[3-(2-azidoethyl)-4-chloro-1H-indol-2-yl]-2-methylpropanedioic acid Traditional Name: 2-[3-(2-azidoethyl)-4-chloro-1H-indol-2-yl]-2-methyl-malonic acid Formula: C14H13ClN4O4 MolecularWeight: 336.73042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C2=C(N1)C=CC=C2Cl)CCN=[N+]=[N-])(C(=O)O)C(=O)O

Isomeric SMILES

CC(C1=C(C2=C(N1)C=CC=C2Cl)CCN=[N+]=[N-])(C(=O)O)C(=O)O

InChI

InChI=1S/C14H13ClN4O4/c1-14(12(20)21,13(22)23)11-7(5-6-17-19-16)10-8(15)3-2-4-9(10)18-11/h2-4,18H,5-6H2,1H3,(H,20,21)(H,22,23)