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3-[(3,4-dinitropyrazol-1-yl)methyl]benzoate

3-[(3,4-dinitropyrazol-1-yl)methyl]benzoate

Systemtic Name:3-[(3,4-dinitropyrazol-1-yl)methyl]benzoate
Openeye Name:3-[(3,4-dinitropyrazol-1-yl)methyl]benzoate
CAS Name:3-[(3,4-dinitro-1-pyrazolyl)methyl]benzoate
IUPAC Name:3-[(3,4-dinitropyrazol-1-yl)methyl]benzoate
Traditional Name:3-[(3,4-dinitropyrazol-1-yl)methyl]benzoate
Formula: C11H7N4O6-
MolecularWeight: 291.19648
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]


Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]


InChI

InChI=1S/C11H8N4O6/c16-11(17)8-3-1-2-7(4-8)5-13-6-9(14(18)19)10(12-13)15(20)21/h1-4,6H,5H2,(H,16,17)/p-1


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