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

Systemtic Name: 2-[2-acetyloxyethyl-[3-methyl-4-[(2-methylsulfonyl-4-nitro-phenyl)diazenyl]phenyl]amino]ethyl ethanoate Openeye Name: 2-[N-(2-acetoxyethyl)-3-methyl-4-(2-methylsulfonyl-4-nitro-phenyl)azo-anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-acetyloxyethyl)-3-methyl-4-(2-methylsulfonyl-4-nitrophenyl)azoanilino]ethyl ester IUPAC Name: 2-[N-(2-acetyloxyethyl)-3-methyl-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]anilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-acetoxyethyl)-4-(2-mesyl-4-nitro-phenyl)azo-3-methyl-anilino]ethyl ester Formula: C22H26N4O8S MolecularWeight: 506.52884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C22H26N4O8S/c1-15-13-18(25(9-11-33-16(2)27)10-12-34-17(3)28)5-7-20(15)23-24-21-8-6-19(26(29)30)14-22(21)35(4,31)32/h5-8,13-14H,9-12H2,1-4H3