3-[(3-nitropyrazol-1-yl)methyl]benzoate

Systemtic Name: 3-[(3-nitropyrazol-1-yl)methyl]benzoate Openeye Name: 3-[(3-nitropyrazol-1-yl)methyl]benzoate CAS Name: 3-[(3-nitro-1-pyrazolyl)methyl]benzoate IUPAC Name: 3-[(3-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 3-[(3-nitropyrazol-1-yl)methyl]benzoate Formula: C11H8N3O4- MolecularWeight: 246.19892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O4/c15-11(16)9-3-1-2-8(6-9)7-13-5-4-10(12-13)14(17)18/h1-6H,7H2,(H,15,16)/p-1