1-(4-chloranyl-2-nitro-phenyl)-5-methyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-chloranyl-2-nitro-phenyl)-5-methyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-chloro-2-nitro-phenyl)-5-methyl-triazole-4-carboxylic acid CAS Name: 1-(4-chloro-2-nitrophenyl)-5-methyl-4-triazolecarboxylic acid IUPAC Name: 1-(4-chloro-2-nitrophenyl)-5-methyltriazole-4-carboxylic acid Traditional Name: 1-(4-chloro-2-nitro-phenyl)-5-methyl-triazole-4-carboxylic acid Formula: C10H7ClN4O4 MolecularWeight: 282.63998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7ClN4O4/c1-5-9(10(16)17)12-13-14(5)7-3-2-6(11)4-8(7)15(18)19/h2-4H,1H3,(H,16,17)