1-ethyl-5-methyl-2-(4-nitrophenyl)-3-oxidanylidene-pyrazole-4-carboxylic acid

Systemtic Name: 1-ethyl-5-methyl-2-(4-nitrophenyl)-3-oxidanylidene-pyrazole-4-carboxylic acid Openeye Name: 1-ethyl-5-methyl-2-(4-nitrophenyl)-3-oxo-pyrazole-4-carboxylic acid CAS Name: 1-ethyl-5-methyl-2-(4-nitrophenyl)-3-oxo-4-pyrazolecarboxylic acid IUPAC Name: 1-ethyl-5-methyl-2-(4-nitrophenyl)-3-oxopyrazole-4-carboxylic acid Traditional Name: 1-ethyl-3-keto-5-methyl-2-(4-nitrophenyl)-3-pyrazoline-4-carboxylic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CCN1C(=C(C(=O)N1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C13H13N3O5/c1-3-14-8(2)11(13(18)19)12(17)15(14)9-4-6-10(7-5-9)16(20)21/h4-7H,3H2,1-2H3,(H,18,19)