2-[2-acetyloxyethyl-[3-chloranyl-4-[(2-methylsulfonyl-4-nitro-phenyl)diazenyl]phenyl]amino]ethyl ethanoate

Systemtic Name: 2-[2-acetyloxyethyl-[3-chloranyl-4-[(2-methylsulfonyl-4-nitro-phenyl)diazenyl]phenyl]amino]ethyl ethanoate Openeye Name: 2-[N-(2-acetoxyethyl)-3-chloro-4-(2-methylsulfonyl-4-nitro-phenyl)azo-anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-acetyloxyethyl)-3-chloro-4-(2-methylsulfonyl-4-nitrophenyl)azoanilino]ethyl ester IUPAC Name: 2-[N-(2-acetyloxyethyl)-3-chloro-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]anilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-acetoxyethyl)-3-chloro-4-(2-mesyl-4-nitro-phenyl)azo-anilino]ethyl ester Formula: C21H23ClN4O8S MolecularWeight: 526.94732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O8S/c1-14(27)33-10-8-25(9-11-34-15(2)28)16-4-6-19(18(22)12-16)23-24-20-7-5-17(26(29)30)13-21(20)35(3,31)32/h4-7,12-13H,8-11H2,1-3H3