5-ethyl-1-(3-nitrophenyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-ethyl-1-(3-nitrophenyl)pyrazole-4-carboxylic acid Openeye Name: 5-ethyl-1-(3-nitrophenyl)pyrazole-4-carboxylic acid CAS Name: 5-ethyl-1-(3-nitrophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-ethyl-1-(3-nitrophenyl)pyrazole-4-carboxylic acid Traditional Name: 5-ethyl-1-(3-nitrophenyl)pyrazole-4-carboxylic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4/c1-2-11-10(12(16)17)7-13-14(11)8-4-3-5-9(6-8)15(18)19/h3-7H,2H2,1H3,(H,16,17)