4-[[(E)-3-[3-methoxy-4-(4-nitrooxybutanoyloxy)phenyl]prop-2-enoyl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[(E)-3-[3-methoxy-4-(4-nitrooxybutanoyloxy)phenyl]prop-2-enoyl]sulfamoyl]benzoic acid Openeye Name: 4-[[(E)-3-[3-methoxy-4-(4-nitrooxybutanoyloxy)phenyl]prop-2-enoyl]sulfamoyl]benzoic acid CAS Name: 4-[[(E)-3-[3-methoxy-4-(4-nitrooxy-1-oxobutoxy)phenyl]-1-oxoprop-2-enyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[(E)-3-[3-methoxy-4-(4-nitrooxybutanoyloxy)phenyl]prop-2-enoyl]sulfamoyl]benzoic acid Traditional Name: 4-[[(E)-3-[3-methoxy-4-(4-nitrooxybutanoyloxy)phenyl]acryloyl]sulfamoyl]benzoic acid Formula: C21H20N2O11S MolecularWeight: 508.4553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O11S/c1-32-18-13-14(4-10-17(18)34-20(25)3-2-12-33-23(28)29)5-11-19(24)22-35(30,31)16-8-6-15(7-9-16)21(26)27/h4-11,13H,2-3,12H2,1H3,(H,22,24)(H,26,27)/b11-5+