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

Systemtic Name: 2-[4-methoxy-3-[3-methyl-4-[(2-nitrophenyl)diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]phenyl]sulfonylethyl propanoate Openeye Name: 2-[4-methoxy-3-[3-methyl-4-(2-nitrophenyl)azo-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylethyl propanoate CAS Name: propanoic acid 2-[4-methoxy-3-[3-methyl-4-(2-nitrophenyl)azo-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylethyl ester IUPAC Name: 2-[4-methoxy-3-[3-methyl-4-[(2-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylethyl propanoate Traditional Name: propionic acid 2-[3-[5-keto-3-methyl-4-(2-nitrophenyl)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:

CCC(=O)OCCS(=O)(=O)C1=CC(=C(C=C1)OC)N2C(=O)C(C(=N2)C)N=NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OCCS(=O)(=O)C1=CC(=C(C=C1)OC)N2C(=O)C(C(=N2)C)N=NC3=CC=CC=C3[N+](=O)[O-]

InChI

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