2-nitro-6-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-nitro-6-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid Openeye Name: 2-nitro-6-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-nitro-6-[oxo-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)amino]methyl]benzoic acid IUPAC Name: 2-nitro-6-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid Traditional Name: 2-nitro-6-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Formula: C15H9N5O5S MolecularWeight: 371.32746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)NC2=NN=C(S2)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)NC2=NN=C(S2)C3=CC=NC=C3

InChI

InChI=1S/C15H9N5O5S/c21-12(9-2-1-3-10(20(24)25)11(9)14(22)23)17-15-19-18-13(26-15)8-4-6-16-7-5-8/h1-7H,(H,22,23)(H,17,19,21)