propyl 5-methyl-1-(2-methyl-4-nitro-phenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: propyl 5-methyl-1-(2-methyl-4-nitro-phenyl)-1,2,3-triazole-4-carboxylate Openeye Name: propyl 5-methyl-1-(2-methyl-4-nitro-phenyl)triazole-4-carboxylate CAS Name: 5-methyl-1-(2-methyl-4-nitrophenyl)-4-triazolecarboxylic acid propyl ester IUPAC Name: propyl 5-methyl-1-(2-methyl-4-nitrophenyl)triazole-4-carboxylate Traditional Name: 5-methyl-1-(2-methyl-4-nitro-phenyl)triazole-4-carboxylic acid propyl ester Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(N(N=N1)C2=C(C=C(C=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CCCOC(=O)C1=C(N(N=N1)C2=C(C=C(C=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C14H16N4O4/c1-4-7-22-14(19)13-10(3)17(16-15-13)12-6-5-11(18(20)21)8-9(12)2/h5-6,8H,4,7H2,1-3H3