2-[2-cyanoethyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]ethyl N-butylcarbamate

Systemtic Name: 2-[2-cyanoethyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]ethyl N-butylcarbamate Openeye Name: 2-[N-(2-cyanoethyl)-4-(4-nitrophenyl)azo-anilino]ethyl N-butylcarbamate CAS Name: N-butylcarbamic acid 2-[N-(2-cyanoethyl)-4-(4-nitrophenyl)azoanilino]ethyl ester IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl N-butylcarbamate Traditional Name: N-butylcarbamic acid 2-[N-(2-cyanoethyl)-4-(4-nitrophenyl)azo-anilino]ethyl ester Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O4/c1-2-3-14-24-22(29)32-17-16-27(15-4-13-23)20-9-5-18(6-10-20)25-26-19-7-11-21(12-8-19)28(30)31/h5-12H,2-4,14-17H2,1H3,(H,24,29)