ethyl 1-(6-butoxy-2-methyl-quinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(6-butoxy-2-methyl-quinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(6-butoxy-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylate CAS Name: 1-(6-butoxy-2-methyl-4-quinolinyl)-5-(4-nitrophenyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-butoxy-2-methylquinolin-4-yl)-5-(4-nitrophenyl)triazole-4-carboxylate Traditional Name: 1-(6-butoxy-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid ethyl ester Formula: C25H25N5O5 MolecularWeight: 475.4965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)N=C(C=C2N3C(=C(N=N3)C(=O)OCC)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)N=C(C=C2N3C(=C(N=N3)C(=O)OCC)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H25N5O5/c1-4-6-13-35-19-11-12-21-20(15-19)22(14-16(3)26-21)29-24(23(27-28-29)25(31)34-5-2)17-7-9-18(10-8-17)30(32)33/h7-12,14-15H,4-6,13H2,1-3H3