2-[[2-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-5-nitro-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[2-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-5-nitro-phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[2-[2-(1,3-benzodioxol-5-ylmethylene)hydrazino]-5-nitro-phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[2-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[2-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[5-nitro-2-(N'-piperonylidenehydrazino)phenyl]sulfonylamino]benzoic acid Formula: C21H16N4O8S MolecularWeight: 484.43874

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=NNC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H16N4O8S/c26-21(27)15-3-1-2-4-16(15)24-34(30,31)20-10-14(25(28)29)6-7-17(20)23-22-11-13-5-8-18-19(9-13)33-12-32-18/h1-11,23-24H,12H2,(H,26,27)