ethyl 1-(7-chloranylquinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(7-chloranylquinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(7-chloro-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylate CAS Name: 1-(7-chloro-4-quinolinyl)-5-(4-nitrophenyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-chloroquinolin-4-yl)-5-(4-nitrophenyl)triazole-4-carboxylate Traditional Name: 1-(7-chloro-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid ethyl ester Formula: C20H14ClN5O4 MolecularWeight: 423.80926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=C3C=CC(=CC3=NC=C2)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=C3C=CC(=CC3=NC=C2)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14ClN5O4/c1-2-30-20(27)18-19(12-3-6-14(7-4-12)26(28)29)25(24-23-18)17-9-10-22-16-11-13(21)5-8-15(16)17/h3-11H,2H2,1H3