N-butyl-N-[2-[2-cyanoethyl-[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]ethyl]carbamate

Systemtic Name: N-butyl-N-[2-[2-cyanoethyl-[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]ethyl]carbamate Openeye Name: N-butyl-N-[2-[N-(2-cyanoethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]ethyl]carbamate CAS Name: N-butyl-N-[2-[N-(2-cyanoethyl)-4-(2-cyano-4-nitrophenyl)azoanilino]ethyl]carbamate IUPAC Name: N-butyl-N-[2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl]carbamate Traditional Name: N-butyl-N-[2-[N-(2-cyanoethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]ethyl]carbamate Formula: C23H24N7O4- MolecularWeight: 462.48116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)[O-]

Isomeric SMILES

CCCCN(CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)[O-]

InChI

InChI=1S/C23H25N7O4/c1-2-3-12-29(23(31)32)15-14-28(13-4-11-24)20-7-5-19(6-8-20)26-27-22-10-9-21(30(33)34)16-18(22)17-25/h5-10,16H,2-4,12-15H2,1H3,(H,31,32)/p-1