[2-methoxy-4-[(E)-3-(2-nitrooxyethoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 4-sulfamoylbenzoate

Systemtic Name: [2-methoxy-4-[(E)-3-(2-nitrooxyethoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 4-sulfamoylbenzoate Openeye Name: [2-methoxy-4-[(E)-3-(2-nitrooxyethoxy)-3-oxo-prop-1-enyl]phenyl] 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid [2-methoxy-4-[(E)-3-(2-nitrooxyethoxy)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-(2-nitrooxyethoxy)-3-oxoprop-1-enyl]phenyl] 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid [4-[(E)-3-keto-3-(2-nitrooxyethoxy)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C19H18N2O10S MolecularWeight: 466.41862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O10S/c1-28-17-12-13(3-9-18(22)29-10-11-30-21(24)25)2-8-16(17)31-19(23)14-4-6-15(7-5-14)32(20,26)27/h2-9,12H,10-11H2,1H3,(H2,20,26,27)/b9-3+