(1,3-dimethylpyrazol-4-yl)methyl 3,5-dinitrobenzoate

Systemtic Name: (1,3-dimethylpyrazol-4-yl)methyl 3,5-dinitrobenzoate Openeye Name: (1,3-dimethylpyrazol-4-yl)methyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (1,3-dimethyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-dimethylpyrazol-4-yl)methyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (1,3-dimethylpyrazol-4-yl)methyl ester Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C13H12N4O6/c1-8-10(6-15(2)14-8)7-23-13(18)9-3-11(16(19)20)5-12(4-9)17(21)22/h3-6H,7H2,1-2H3