2-[2-acetyloxyethyl-[3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]ethyl ethanoate

Systemtic Name: 2-[2-acetyloxyethyl-[3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]ethyl ethanoate Openeye Name: 2-[N-(2-acetoxyethyl)-3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-acetyloxyethyl)-3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]ethyl ester IUPAC Name: 2-[N-(2-acetyloxyethyl)-3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-acetoxyethyl)-3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]ethyl ester Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O6S/c1-14-12-17(26(8-10-32-15(2)28)9-11-33-16(3)29)4-6-19(14)24-25-22-23-20-7-5-18(27(30)31)13-21(20)34-22/h4-7,12-13H,8-11H2,1-3H3