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

Systemtic Name: 5-methyl-1-(3-nitrophenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-methyl-1-(3-nitrophenyl)triazole-4-carboxylic acid CAS Name: 5-methyl-1-(3-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 5-methyl-1-(3-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 5-methyl-1-(3-nitrophenyl)triazole-4-carboxylic acid Formula: C10H8N4O4 MolecularWeight: 248.19492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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