3-(2-carboxyethyl)-6-nitro-1H-indole-2-carboxylic acid

Systemtic Name: 3-(2-carboxyethyl)-6-nitro-1H-indole-2-carboxylic acid Openeye Name: 3-(2-carboxyethyl)-6-nitro-1H-indole-2-carboxylic acid CAS Name: 3-(2-carboxyethyl)-6-nitro-1H-indole-2-carboxylic acid IUPAC Name: 3-(2-carboxyethyl)-6-nitro-1H-indole-2-carboxylic acid Traditional Name: 3-(2-carboxyethyl)-6-nitro-1H-indole-2-carboxylic acid Formula: C12H10N2O6 MolecularWeight: 278.2176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=C2CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=C2CCC(=O)O)C(=O)O

InChI

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