cyanomethyl 2-[[4-[bis(2-cyanoethyl)amino]phenyl]diazenyl]-3-methyl-5-nitro-benzoate

Systemtic Name: cyanomethyl 2-[[4-[bis(2-cyanoethyl)amino]phenyl]diazenyl]-3-methyl-5-nitro-benzoate Openeye Name: cyanomethyl 2-[4-[bis(2-cyanoethyl)amino]phenyl]azo-3-methyl-5-nitro-benzoate CAS Name: 2-[4-[bis(2-cyanoethyl)amino]phenyl]azo-3-methyl-5-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[[4-[bis(2-cyanoethyl)amino]phenyl]diazenyl]-3-methyl-5-nitrobenzoate Traditional Name: 2-[4-[bis(2-cyanoethyl)amino]phenyl]azo-3-methyl-5-nitro-benzoic acid cyanomethyl ester Formula: C22H19N7O4 MolecularWeight: 445.43076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)OCC#N)N=NC2=CC=C(C=C2)N(CCC#N)CCC#N

Isomeric SMILES

CC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)OCC#N)N=NC2=CC=C(C=C2)N(CCC#N)CCC#N

InChI

InChI=1S/C22H19N7O4/c1-16-14-19(29(31)32)15-20(22(30)33-13-10-25)21(16)27-26-17-4-6-18(7-5-17)28(11-2-8-23)12-3-9-24/h4-7,14-15H,2-3,11-13H2,1H3