4-nitrooxybutyl 3-methoxy-4-(4-sulfamoylphenyl)carbonyloxy-benzoate

Systemtic Name: 4-nitrooxybutyl 3-methoxy-4-(4-sulfamoylphenyl)carbonyloxy-benzoate Openeye Name: 4-nitrooxybutyl 3-methoxy-4-(4-sulfamoylbenzoyl)oxy-benzoate CAS Name: 3-methoxy-4-[oxo-(4-sulfamoylphenyl)methoxy]benzoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 3-methoxy-4-(4-sulfamoylbenzoyl)oxybenzoate Traditional Name: 3-methoxy-4-(4-sulfamoylbenzoyl)oxy-benzoic acid 4-nitrooxybutyl ester Formula: C19H20N2O10S MolecularWeight: 468.4345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O10S/c1-28-17-12-14(18(22)29-10-2-3-11-30-21(24)25)6-9-16(17)31-19(23)13-4-7-15(8-5-13)32(20,26)27/h4-9,12H,2-3,10-11H2,1H3,(H2,20,26,27)