5-ethyl-1-(4-methoxy-2-nitro-phenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-ethyl-1-(4-methoxy-2-nitro-phenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-ethyl-1-(4-methoxy-2-nitro-phenyl)triazole-4-carboxylic acid CAS Name: 5-ethyl-1-(4-methoxy-2-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 5-ethyl-1-(4-methoxy-2-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 5-ethyl-1-(4-methoxy-2-nitro-phenyl)triazole-4-carboxylic acid Formula: C12H12N4O5 MolecularWeight: 292.24748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=C(C=C(C=C2)OC)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=C(N=NN1C2=C(C=C(C=C2)OC)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H12N4O5/c1-3-8-11(12(17)18)13-14-15(8)9-5-4-7(21-2)6-10(9)16(19)20/h4-6H,3H2,1-2H3,(H,17,18)