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

Systemtic Name: ethyl 1-(6-butyl-2-methyl-quinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(6-butyl-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylate CAS Name: 1-(6-butyl-2-methyl-4-quinolinyl)-5-(4-nitrophenyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-butyl-2-methylquinolin-4-yl)-5-(4-nitrophenyl)triazole-4-carboxylate Traditional Name: 1-(6-butyl-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid ethyl ester Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/C25H25N5O4/c1-4-6-7-17-8-13-21-20(15-17)22(14-16(3)26-21)29-24(23(27-28-29)25(31)34-5-2)18-9-11-19(12-10-18)30(32)33/h8-15H,4-7H2,1-3H3