2-azanyl-4-[[3-cyano-4-methyl-2,6-bis(oxidanylidene)pyridin-3-yl]diazenyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[[3-cyano-4-methyl-2,6-bis(oxidanylidene)pyridin-3-yl]diazenyl]benzenesulfonic acid Openeye Name: 2-amino-4-[(3-cyano-4-methyl-2,6-dioxo-3-pyridyl)azo]benzenesulfonic acid CAS Name: 2-amino-4-[(3-cyano-4-methyl-2,6-dioxo-3-pyridinyl)azo]benzenesulfonic acid IUPAC Name: 2-amino-4-[(3-cyano-4-methyl-2,6-dioxopyridin-3-yl)diazenyl]benzenesulfonic acid Traditional Name: 2-amino-4-[(3-cyano-2,6-diketo-4-methyl-3-pyridyl)azo]besylic acid Formula: C13H11N5O5S MolecularWeight: 349.32194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=O)C1(C#N)N=NC2=CC(=C(C=C2)S(=O)(=O)O)N

Isomeric SMILES

CC1=CC(=O)NC(=O)C1(C#N)N=NC2=CC(=C(C=C2)S(=O)(=O)O)N

InChI

InChI=1S/C13H11N5O5S/c1-7-4-11(19)16-12(20)13(7,6-14)18-17-8-2-3-10(9(15)5-8)24(21,22)23/h2-5H,15H2,1H3,(H,16,19,20)(H,21,22,23)