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

Systemtic Name: 2-[3-(2-azidoethyl)-4-chloranyl-1H-indol-2-yl]propanedioic acid Openeye Name: 2-[3-(2-azidoethyl)-4-chloro-1H-indol-2-yl]propanedioic acid CAS Name: 2-[3-(2-azidoethyl)-4-chloro-1H-indol-2-yl]propanedioic acid IUPAC Name: 2-[3-(2-azidoethyl)-4-chloro-1H-indol-2-yl]propanedioic acid Traditional Name: 2-[3-(2-azidoethyl)-4-chloro-1H-indol-2-yl]malonic acid Formula: C13H11ClN4O4 MolecularWeight: 322.70384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)C(=C(N2)C(C(=O)O)C(=O)O)CCN=[N+]=[N-]

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)C(=C(N2)C(C(=O)O)C(=O)O)CCN=[N+]=[N-]

InChI

InChI=1S/C13H11ClN4O4/c14-7-2-1-3-8-9(7)6(4-5-16-18-15)11(17-8)10(12(19)20)13(21)22/h1-3,10,17H,4-5H2,(H,19,20)(H,21,22)