2-[2-cyanoethyl-[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]ethyl methyl carbonate

Systemtic Name: 2-[2-cyanoethyl-[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]ethyl methyl carbonate Openeye Name: 2-[N-(2-cyanoethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]ethyl methyl carbonate CAS Name: carbonic acid 2-[N-(2-cyanoethyl)-4-(2-cyano-4-nitrophenyl)azoanilino]ethyl methyl ester IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl methyl carbonate Traditional Name: carbonic acid 2-[N-(2-cyanoethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]ethyl methyl ester Formula: C20H18N6O5 MolecularWeight: 422.39412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O5/c1-30-20(27)31-12-11-25(10-2-9-21)17-5-3-16(4-6-17)23-24-19-8-7-18(26(28)29)13-15(19)14-22/h3-8,13H,2,10-12H2,1H3