5-[ethyl-(phenylmethyl)amino]-2-[(4-nitrophenyl)diazenyl]benzenesulfonic acid

Systemtic Name: 5-[ethyl-(phenylmethyl)amino]-2-[(4-nitrophenyl)diazenyl]benzenesulfonic acid Openeye Name: 5-[benzyl(ethyl)amino]-2-(4-nitrophenyl)azo-benzenesulfonic acid CAS Name: 5-[ethyl-(phenylmethyl)amino]-2-(4-nitrophenyl)azobenzenesulfonic acid IUPAC Name: 5-[benzyl(ethyl)amino]-2-[(4-nitrophenyl)diazenyl]benzenesulfonic acid Traditional Name: 5-[benzyl(ethyl)amino]-2-(4-nitrophenyl)azo-besylic acid Formula: C21H20N4O5S MolecularWeight: 440.4723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C21H20N4O5S/c1-2-24(15-16-6-4-3-5-7-16)19-12-13-20(21(14-19)31(28,29)30)23-22-17-8-10-18(11-9-17)25(26)27/h3-14H,2,15H2,1H3,(H,28,29,30)