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

Systemtic Name: 1-(5-chloranyl-2-nitro-phenyl)-5-propan-2-yl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(5-chloro-2-nitro-phenyl)-5-isopropyl-triazole-4-carboxylic acid CAS Name: 1-(5-chloro-2-nitrophenyl)-5-propan-2-yl-4-triazolecarboxylic acid IUPAC Name: 1-(5-chloro-2-nitrophenyl)-5-propan-2-yltriazole-4-carboxylic acid Traditional Name: 1-(5-chloro-2-nitro-phenyl)-5-isopropyl-triazole-4-carboxylic acid Formula: C12H11ClN4O4 MolecularWeight: 310.69314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=NN1C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)C1=C(N=NN1C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H11ClN4O4/c1-6(2)11-10(12(18)19)14-15-16(11)9-5-7(13)3-4-8(9)17(20)21/h3-6H,1-2H3,(H,18,19)