prop-2-ynyl 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)benzoate

Systemtic Name: prop-2-ynyl 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)benzoate Openeye Name: prop-2-ynyl 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)benzoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-(3,5-dimethyl-4-nitropyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)benzoic acid propargyl ester Formula: C15H13N3O4 MolecularWeight: 299.28142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4/c1-4-9-22-15(19)12-5-7-13(8-6-12)17-11(3)14(18(20)21)10(2)16-17/h1,5-8H,9H2,2-3H3