4-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoic acid Openeye Name: 4-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[3,5-dimethyl-4-(3-nitrophenyl)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoic acid Traditional Name: 4-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoic acid Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)O)C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)O)C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4/c1-11-17(14-4-3-5-16(10-14)21(24)25)12(2)20(19-11)15-8-6-13(7-9-15)18(22)23/h3-10H,1-2H3,(H,22,23)