4-cyano-1,1-bis(methylcarbamoyl)indol-1-ium-3-carboxylic acid

Systemtic Name: 4-cyano-1,1-bis(methylcarbamoyl)indol-1-ium-3-carboxylic acid Openeye Name: 4-cyano-1,1-bis(methylcarbamoyl)indol-1-ium-3-carboxylic acid CAS Name: 4-cyano-1,1-bis(methylcarbamoyl)-3-indol-1-iumcarboxylic acid IUPAC Name: 4-cyano-1,1-bis(methylcarbamoyl)indol-1-ium-3-carboxylic acid Traditional Name: 4-cyano-1,1-bis(methylcarbamoyl)indol-1-ium-3-carboxylic acid Formula: C14H13N4O4+ MolecularWeight: 301.27742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)[N+]1(C=C(C2=C(C=CC=C21)C#N)C(=O)O)C(=O)NC

Isomeric SMILES

CNC(=O)[N+]1(C=C(C2=C(C=CC=C21)C#N)C(=O)O)C(=O)NC

InChI

InChI=1S/C14H12N4O4/c1-16-13(21)18(14(22)17-2)7-9(12(19)20)11-8(6-15)4-3-5-10(11)18/h3-5,7H,1-2H3,(H2-,16,17,19,20,21,22)/p+1