2-[4-nitro-3-[1-(phenylmethyl)pyrazol-4-yl]pyrazol-1-yl]ethanoate

Systemtic Name: 2-[4-nitro-3-[1-(phenylmethyl)pyrazol-4-yl]pyrazol-1-yl]ethanoate Openeye Name: 2-[3-(1-benzylpyrazol-4-yl)-4-nitro-pyrazol-1-yl]acetate CAS Name: 2-[4-nitro-3-[1-(phenylmethyl)-4-pyrazolyl]-1-pyrazolyl]acetate IUPAC Name: 2-[3-(1-benzylpyrazol-4-yl)-4-nitropyrazol-1-yl]acetate Traditional Name: 2-[3-(1-benzylpyrazol-4-yl)-4-nitro-pyrazol-1-yl]acetate Formula: C15H12N5O4- MolecularWeight: 326.28688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C3=NN(C=C3[N+](=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C3=NN(C=C3[N+](=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C15H13N5O4/c21-14(22)10-19-9-13(20(23)24)15(17-19)12-6-16-18(8-12)7-11-4-2-1-3-5-11/h1-6,8-9H,7,10H2,(H,21,22)/p-1