1-(7-chloranylquinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(7-chloranylquinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(7-chloro-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid CAS Name: 1-(7-chloro-4-quinolinyl)-5-(4-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 1-(7-chloroquinolin-4-yl)-5-(4-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 1-(7-chloro-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid Formula: C18H10ClN5O4 MolecularWeight: 395.7561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(N=NN2C3=C4C=CC(=CC4=NC=C3)Cl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C(N=NN2C3=C4C=CC(=CC4=NC=C3)Cl)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H10ClN5O4/c19-11-3-6-13-14(9-11)20-8-7-15(13)23-17(16(18(25)26)21-22-23)10-1-4-12(5-2-10)24(27)28/h1-9H,(H,25,26)