5-methyl-1-(4-nitrophenyl)-1,2,4-triazole-3-carboxylate

Systemtic Name: 5-methyl-1-(4-nitrophenyl)-1,2,4-triazole-3-carboxylate Openeye Name: 5-methyl-1-(4-nitrophenyl)-1,2,4-triazole-3-carboxylate CAS Name: 5-methyl-1-(4-nitrophenyl)-1,2,4-triazole-3-carboxylate IUPAC Name: 5-methyl-1-(4-nitrophenyl)-1,2,4-triazole-3-carboxylate Traditional Name: 5-methyl-1-(4-nitrophenyl)-1,2,4-triazole-3-carboxylate Formula: C10H7N4O4- MolecularWeight: 247.18698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C10H8N4O4/c1-6-11-9(10(15)16)12-13(6)7-2-4-8(5-3-7)14(17)18/h2-5H,1H3,(H,15,16)/p-1