2-[2-cyanoethyl-[4-[(2-methylsulfonyl-4-nitro-phenyl)diazenyl]phenyl]amino]ethyl ethanoate

Systemtic Name: 2-[2-cyanoethyl-[4-[(2-methylsulfonyl-4-nitro-phenyl)diazenyl]phenyl]amino]ethyl ethanoate Openeye Name: 2-[N-(2-cyanoethyl)-4-(2-methylsulfonyl-4-nitro-phenyl)azo-anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-cyanoethyl)-4-(2-methylsulfonyl-4-nitrophenyl)azoanilino]ethyl ester IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]anilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-cyanoethyl)-4-(2-mesyl-4-nitro-phenyl)azo-anilino]ethyl ester Formula: C20H21N5O6S MolecularWeight: 459.47564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O6S/c1-15(26)31-13-12-24(11-3-10-21)17-6-4-16(5-7-17)22-23-19-9-8-18(25(27)28)14-20(19)32(2,29)30/h4-9,14H,3,11-13H2,1-2H3