[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxo-prop-1-enyl]phenyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [4-[(E)-3-keto-3-(4-nitrooxybutoxy)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H21ClN2O10S MolecularWeight: 528.91684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O10S/c1-31-18-12-14(5-9-20(25)32-10-2-3-11-33-24(27)28)4-8-17(18)34-21(26)15-6-7-16(22)19(13-15)35(23,29)30/h4-9,12-13H,2-3,10-11H2,1H3,(H2,23,29,30)/b9-5+