2-[[5-nitro-2-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[5-nitro-2-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[5-nitro-2-[(2E)-2-[1-(3-pyridyl)ethylidene]hydrazino]phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[5-nitro-2-[(2E)-2-[1-(3-pyridinyl)ethylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[5-nitro-2-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]phenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[5-nitro-2-[(N'E)-N'-[1-(3-pyridyl)ethylidene]hydrazino]phenyl]sulfonylamino]benzoic acid Formula: C20H17N5O6S MolecularWeight: 455.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2C(=O)O)C3=CN=CC=C3

Isomeric SMILES

C/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2C(=O)O)/C3=CN=CC=C3

InChI

InChI=1S/C20H17N5O6S/c1-13(14-5-4-10-21-12-14)22-23-18-9-8-15(25(28)29)11-19(18)32(30,31)24-17-7-3-2-6-16(17)20(26)27/h2-12,23-24H,1H3,(H,26,27)/b22-13+