2-[4-methoxy-3-[3-methyl-4-[(4-methyl-2-nitro-phenyl)diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]phenyl]sulfonylethyl ethanoate

Systemtic Name: 2-[4-methoxy-3-[3-methyl-4-[(4-methyl-2-nitro-phenyl)diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]phenyl]sulfonylethyl ethanoate Openeye Name: 2-[4-methoxy-3-[3-methyl-4-(4-methyl-2-nitro-phenyl)azo-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylethyl acetate CAS Name: acetic acid 2-[4-methoxy-3-[3-methyl-4-(4-methyl-2-nitrophenyl)azo-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylethyl ester IUPAC Name: 2-[4-methoxy-3-[3-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylethyl acetate Traditional Name: acetic acid 2-[3-[5-keto-3-methyl-4-(4-methyl-2-nitro-phenyl)azo-2-pyrazolin-1-yl]-4-methoxy-phenyl]sulfonylethyl ester Formula: C22H23N5O8S MolecularWeight: 517.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=NC2C(=NN(C2=O)C3=C(C=CC(=C3)S(=O)(=O)CCOC(=O)C)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)N=NC2C(=NN(C2=O)C3=C(C=CC(=C3)S(=O)(=O)CCOC(=O)C)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O8S/c1-13-5-7-17(18(11-13)27(30)31)23-24-21-14(2)25-26(22(21)29)19-12-16(6-8-20(19)34-4)36(32,33)10-9-35-15(3)28/h5-8,11-12,21H,9-10H2,1-4H3