3-[(E)-dimethylaminomethylideneamino]sulfonyl-4-(4-nitrophenoxy)-5-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 3-[(E)-dimethylaminomethylideneamino]sulfonyl-4-(4-nitrophenoxy)-5-pyrrolidin-1-yl-benzoic acid Openeye Name: 3-[(E)-dimethylaminomethyleneamino]sulfonyl-4-(4-nitrophenoxy)-5-pyrrolidin-1-yl-benzoic acid CAS Name: 3-[(E)-dimethylaminomethylideneamino]sulfonyl-4-(4-nitrophenoxy)-5-(1-pyrrolidinyl)benzoic acid IUPAC Name: 3-[(E)-dimethylaminomethylideneamino]sulfonyl-4-(4-nitrophenoxy)-5-pyrrolidin-1-ylbenzoic acid Traditional Name: 3-[(E)-dimethylaminomethyleneamino]sulfonyl-4-(4-nitrophenoxy)-5-pyrrolidino-benzoic acid Formula: C20H22N4O7S MolecularWeight: 462.47628

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NS(=O)(=O)C1=CC(=CC(=C1OC2=CC=C(C=C2)[N+](=O)[O-])N3CCCC3)C(=O)O

Isomeric SMILES

CN(C)/C=N/S(=O)(=O)C1=CC(=CC(=C1OC2=CC=C(C=C2)[N+](=O)[O-])N3CCCC3)C(=O)O

InChI

InChI=1S/C20H22N4O7S/c1-22(2)13-21-32(29,30)18-12-14(20(25)26)11-17(23-9-3-4-10-23)19(18)31-16-7-5-15(6-8-16)24(27)28/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,25,26)/b21-13+