1-(2-carboxyethyl)-3-(4-nitrophenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-carboxyethyl)-3-(4-nitrophenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(2-carboxyethyl)-3-(4-nitrophenyl)pyrazole-4-carboxylic acid CAS Name: 1-(2-carboxyethyl)-3-(4-nitrophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-carboxyethyl)-3-(4-nitrophenyl)pyrazole-4-carboxylic acid Traditional Name: 1-(2-carboxyethyl)-3-(4-nitrophenyl)pyrazole-4-carboxylic acid Formula: C13H11N3O6 MolecularWeight: 305.24294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C(=O)O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C(=O)O)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O6/c17-11(18)5-6-15-7-10(13(19)20)12(14-15)8-1-3-9(4-2-8)16(21)22/h1-4,7H,5-6H2,(H,17,18)(H,19,20)