[2-methoxy-4-[(E)-3-oxidanylidene-3-[(4-sulfamoylphenyl)methoxy]prop-1-enyl]phenyl] 4-nitrooxybutanoate

Systemtic Name: [2-methoxy-4-[(E)-3-oxidanylidene-3-[(4-sulfamoylphenyl)methoxy]prop-1-enyl]phenyl] 4-nitrooxybutanoate Openeye Name: [2-methoxy-4-[(E)-3-oxo-3-[(4-sulfamoylphenyl)methoxy]prop-1-enyl]phenyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [2-methoxy-4-[(E)-3-oxo-3-[(4-sulfamoylphenyl)methoxy]prop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-oxo-3-[(4-sulfamoylphenyl)methoxy]prop-1-enyl]phenyl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [4-[(E)-3-keto-3-(4-sulfamoylbenzyl)oxy-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H22N2O10S MolecularWeight: 494.47178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=CC=C(C=C2)S(=O)(=O)N)OC(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=CC=C(C=C2)S(=O)(=O)N)OC(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O10S/c1-30-19-13-15(6-10-18(19)33-21(25)3-2-12-32-23(26)27)7-11-20(24)31-14-16-4-8-17(9-5-16)34(22,28)29/h4-11,13H,2-3,12,14H2,1H3,(H2,22,28,29)/b11-7+