N-[5-[2,3-bis(oxidanyl)propyl-ethyl-amino]-2-[(2,6-dicyano-4-nitro-phenyl)diazenyl]phenyl]ethanamide

Systemtic Name: N-[5-[2,3-bis(oxidanyl)propyl-ethyl-amino]-2-[(2,6-dicyano-4-nitro-phenyl)diazenyl]phenyl]ethanamide Openeye Name: N-[2-(2,6-dicyano-4-nitro-phenyl)azo-5-[2,3-dihydroxypropyl(ethyl)amino]phenyl]acetamide CAS Name: N-[2-(2,6-dicyano-4-nitrophenyl)azo-5-[2,3-dihydroxypropyl(ethyl)amino]phenyl]acetamide IUPAC Name: N-[2-[(2,6-dicyano-4-nitrophenyl)diazenyl]-5-[2,3-dihydroxypropyl(ethyl)amino]phenyl]acetamide Traditional Name: N-[2-(2,6-dicyano-4-nitro-phenyl)azo-5-[ethyl(glyceryl)amino]phenyl]acetamide Formula: C21H21N7O5 MolecularWeight: 451.43534

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(CO)O)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)NC(=O)C

Isomeric SMILES

CCN(CC(CO)O)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)NC(=O)C

InChI

InChI=1S/C21H21N7O5/c1-3-27(11-18(31)12-29)16-4-5-19(20(8-16)24-13(2)30)25-26-21-14(9-22)6-17(28(32)33)7-15(21)10-23/h4-8,18,29,31H,3,11-12H2,1-2H3,(H,24,30)