methyl 5-(2,3,4,5-tetramethyl-6-nitro-phenyl)carbonyl-2H-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 5-(2,3,4,5-tetramethyl-6-nitro-phenyl)carbonyl-2H-1,2,3-triazole-4-carboxylate Openeye Name: methyl 5-(2,3,4,5-tetramethyl-6-nitro-benzoyl)-2H-triazole-4-carboxylate CAS Name: 5-[oxo-(2,3,4,5-tetramethyl-6-nitrophenyl)methyl]-2H-triazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-(2,3,4,5-tetramethyl-6-nitrobenzoyl)-2H-triazole-4-carboxylate Traditional Name: 5-(2,3,4,5-tetramethyl-6-nitro-benzoyl)-2H-triazole-4-carboxylic acid methyl ester Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C(=O)C2=NNN=C2C(=O)OC)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C(=O)C2=NNN=C2C(=O)OC)[N+](=O)[O-])C)C

InChI

InChI=1S/C15H16N4O5/c1-6-7(2)9(4)13(19(22)23)10(8(6)3)14(20)11-12(15(21)24-5)17-18-16-11/h1-5H3,(H,16,17,18)