2-[2-(2-cyanoethanoyloxy)ethyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]ethyl 2-cyanoethanoate

Systemtic Name: 2-[2-(2-cyanoethanoyloxy)ethyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]ethyl 2-cyanoethanoate Openeye Name: 2-[N-[2-(2-cyanoacetyl)oxyethyl]-4-(4-nitrophenyl)azo-anilino]ethyl 2-cyanoacetate CAS Name: 2-cyanoacetic acid 2-[N-[2-(2-cyano-1-oxoethoxy)ethyl]-4-(4-nitrophenyl)azoanilino]ethyl ester IUPAC Name: 2-[N-[2-(2-cyanoacetyl)oxyethyl]-4-[(4-nitrophenyl)diazenyl]anilino]ethyl 2-cyanoacetate Traditional Name: 2-cyanoacetic acid 2-[N-[2-(2-cyanoacetyl)oxyethyl]-4-(4-nitrophenyl)azo-anilino]ethyl ester Formula: C22H20N6O6 MolecularWeight: 464.4308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])N(CCOC(=O)CC#N)CCOC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])N(CCOC(=O)CC#N)CCOC(=O)CC#N

InChI

InChI=1S/C22H20N6O6/c23-11-9-21(29)33-15-13-27(14-16-34-22(30)10-12-24)19-5-1-17(2-6-19)25-26-18-3-7-20(8-4-18)28(31)32/h1-8H,9-10,13-16H2