(5-methyl-2-phenyl-pyrazol-3-yl) 3,5-dinitrobenzoate

Systemtic Name: (5-methyl-2-phenyl-pyrazol-3-yl) 3,5-dinitrobenzoate Openeye Name: (5-methyl-2-phenyl-pyrazol-3-yl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (5-methyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-methyl-2-phenylpyrazol-3-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C17H12N4O6 MolecularWeight: 368.30038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H12N4O6/c1-11-7-16(19(18-11)13-5-3-2-4-6-13)27-17(22)12-8-14(20(23)24)10-15(9-12)21(25)26/h2-10H,1H3