3-[1-(4-chlorophenyl)pyrazol-4-yl]-4-nitro-benzoic acid

Systemtic Name: 3-[1-(4-chlorophenyl)pyrazol-4-yl]-4-nitro-benzoic acid Openeye Name: 3-[1-(4-chlorophenyl)pyrazol-4-yl]-4-nitro-benzoic acid CAS Name: 3-[1-(4-chlorophenyl)-4-pyrazolyl]-4-nitrobenzoic acid IUPAC Name: 3-[1-(4-chlorophenyl)pyrazol-4-yl]-4-nitrobenzoic acid Traditional Name: 3-[1-(4-chlorophenyl)pyrazol-4-yl]-4-nitro-benzoic acid Formula: C16H10ClN3O4 MolecularWeight: 343.7213

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=C(C=N2)C3=C(C=CC(=C3)C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1N2C=C(C=N2)C3=C(C=CC(=C3)C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H10ClN3O4/c17-12-2-4-13(5-3-12)19-9-11(8-18-19)14-7-10(16(21)22)1-6-15(14)20(23)24/h1-9H,(H,21,22)