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

Systemtic Name: 2-[4-methoxy-3-[3-methyl-4-[(2-nitrophenyl)diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]phenyl]sulfonylethyl ethanoate Openeye Name: 2-[4-methoxy-3-[3-methyl-4-(2-nitrophenyl)azo-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylethyl acetate CAS Name: acetic 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 acetate Traditional Name: acetic acid 2-[3-[5-keto-3-methyl-4-(2-nitrophenyl)azo-2-pyrazolin-1-yl]-4-methoxy-phenyl]sulfonylethyl ester Formula: C21H21N5O8S MolecularWeight: 503.48514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC=C2[N+](=O)[O-])C3=C(C=CC(=C3)S(=O)(=O)CCOC(=O)C)OC

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2[N+](=O)[O-])C3=C(C=CC(=C3)S(=O)(=O)CCOC(=O)C)OC

InChI

InChI=1S/C21H21N5O8S/c1-13-20(23-22-16-6-4-5-7-17(16)26(29)30)21(28)25(24-13)18-12-15(8-9-19(18)33-3)35(31,32)11-10-34-14(2)27/h4-9,12,20H,10-11H2,1-3H3