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

Systemtic Name: 5-(4-nitrophenyl)-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: 5-(4-nitrophenyl)-1-phenyl-pyrazole-3-carboxylic acid CAS Name: 5-(4-nitrophenyl)-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-nitrophenyl)-1-phenylpyrazole-3-carboxylic acid Traditional Name: 5-(4-nitrophenyl)-1-phenyl-pyrazole-3-carboxylic acid Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O4/c20-16(21)14-10-15(11-6-8-13(9-7-11)19(22)23)18(17-14)12-4-2-1-3-5-12/h1-10H,(H,20,21)