3-(2-carboxyethyl)-4-nitro-1H-indole-2-carboxylic acid

Systemtic Name: 3-(2-carboxyethyl)-4-nitro-1H-indole-2-carboxylic acid Openeye Name: 3-(2-carboxyethyl)-4-nitro-1H-indole-2-carboxylic acid CAS Name: 3-(2-carboxyethyl)-4-nitro-1H-indole-2-carboxylic acid IUPAC Name: 3-(2-carboxyethyl)-4-nitro-1H-indole-2-carboxylic acid Traditional Name: 3-(2-carboxyethyl)-4-nitro-1H-indole-2-carboxylic acid Formula: C12H10N2O6 MolecularWeight: 278.2176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O6/c15-9(16)5-4-6-10-7(13-11(6)12(17)18)2-1-3-8(10)14(19)20/h1-3,13H,4-5H2,(H,15,16)(H,17,18)