[3-methoxy-5-[(E)-3-(4-nitrooxybutoxy)-3-oxidanylidene-prop-1-enyl]phenyl]methyl 4-sulfamoylbenzoate

Systemtic Name: [3-methoxy-5-[(E)-3-(4-nitrooxybutoxy)-3-oxidanylidene-prop-1-enyl]phenyl]methyl 4-sulfamoylbenzoate Openeye Name: [3-methoxy-5-[(E)-3-(4-nitrooxybutoxy)-3-oxo-prop-1-enyl]phenyl]methyl 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid [3-methoxy-5-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl]methyl ester IUPAC Name: [3-methoxy-5-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl]methyl 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid [3-[(E)-3-keto-3-(4-nitrooxybutoxy)prop-1-enyl]-5-methoxy-benzyl] ester Formula: C22H24N2O10S MolecularWeight: 508.49836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N)C=CC(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N)/C=C/C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O10S/c1-31-19-13-16(4-9-21(25)32-10-2-3-11-34-24(27)28)12-17(14-19)15-33-22(26)18-5-7-20(8-6-18)35(23,29)30/h4-9,12-14H,2-3,10-11,15H2,1H3,(H2,23,29,30)/b9-4+