5-nitro-3-[2-(propanoylamino)ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-nitro-3-[2-(propanoylamino)ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-nitro-3-[2-(propanoylamino)ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-nitro-3-[2-(1-oxopropylamino)ethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-nitro-3-[2-(propanoylamino)ethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-nitro-3-(2-propionamidoethyl)-1H-indole-2-carboxylic acid Formula: C14H15N3O5 MolecularWeight: 305.286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCCC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(=O)NCCC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H15N3O5/c1-2-12(18)15-6-5-9-10-7-8(17(21)22)3-4-11(10)16-13(9)14(19)20/h3-4,7,16H,2,5-6H2,1H3,(H,15,18)(H,19,20)