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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCC1=C(N=NN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H11ClN4O4/c1-2-3-9-11(12(18)19)14-15-16(9)8-5-4-7(13)6-10(8)17(20)21/h4-6H,2-3H2,1H3,(H,18,19)