2-[4-methoxy-3-[4-[(4-methoxy-2-nitro-phenyl)diazenyl]-5-methyl-3-oxidanylidene-pyrazolidin-1-yl]phenyl]sulfonylethyl propanoate

Systemtic Name: 2-[4-methoxy-3-[4-[(4-methoxy-2-nitro-phenyl)diazenyl]-5-methyl-3-oxidanylidene-pyrazolidin-1-yl]phenyl]sulfonylethyl propanoate Openeye Name: 2-[4-methoxy-3-[4-(4-methoxy-2-nitro-phenyl)azo-5-methyl-3-oxo-pyrazolidin-1-yl]phenyl]sulfonylethyl propanoate CAS Name: propanoic acid 2-[4-methoxy-3-[4-(4-methoxy-2-nitrophenyl)azo-5-methyl-3-oxo-1-pyrazolidinyl]phenyl]sulfonylethyl ester IUPAC Name: 2-[4-methoxy-3-[4-[(4-methoxy-2-nitrophenyl)diazenyl]-5-methyl-3-oxopyrazolidin-1-yl]phenyl]sulfonylethyl propanoate Traditional Name: propionic acid 2-[3-[3-keto-4-(4-methoxy-2-nitro-phenyl)azo-5-methyl-pyrazolidin-1-yl]-4-methoxy-phenyl]sulfonylethyl ester Formula: C23H27N5O9S MolecularWeight: 549.55358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O9S/c1-5-21(29)37-10-11-38(33,34)16-7-9-20(36-4)19(13-16)27-14(2)22(23(30)26-27)25-24-17-8-6-15(35-3)12-18(17)28(31)32/h6-9,12-14,22H,5,10-11H2,1-4H3,(H,26,30)