(4-nitrophenyl) 4-(3,5-dimethylpyrazol-1-yl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

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