prop-2-ynyl 3-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoate

Systemtic Name: prop-2-ynyl 3-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoate Openeye Name: prop-2-ynyl 3-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoate CAS Name: 3-[3,5-dimethyl-4-(3-nitrophenyl)-1-pyrazolyl]benzoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 3-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoate Traditional Name: 3-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoic acid propargyl ester Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O4/c1-4-11-28-21(25)17-8-6-9-18(13-17)23-15(3)20(14(2)22-23)16-7-5-10-19(12-16)24(26)27/h1,5-10,12-13H,11H2,2-3H3