4-[(4-nitropyrazol-1-yl)methyl]benzoate

Systemtic Name: 4-[(4-nitropyrazol-1-yl)methyl]benzoate Openeye Name: 4-[(4-nitropyrazol-1-yl)methyl]benzoate CAS Name: 4-[(4-nitro-1-pyrazolyl)methyl]benzoate IUPAC Name: 4-[(4-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(4-nitropyrazol-1-yl)methyl]benzoate Formula: C11H8N3O4- MolecularWeight: 246.19892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=N2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=N2)[N+](=O)[O-])C(=O)[O-]

InChI

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