4-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]butanoate

Systemtic Name: 4-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]butanoate Openeye Name: 4-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]butanoate CAS Name: 4-[4-nitro-3-(1-phenyl-4-pyrazolyl)-1-pyrazolyl]butanoate IUPAC Name: 4-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]butanoate Traditional Name: 4-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]butyrate Formula: C16H14N5O4- MolecularWeight: 340.31346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C3=NN(C=C3[N+](=O)[O-])CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C3=NN(C=C3[N+](=O)[O-])CCCC(=O)[O-]

InChI

InChI=1S/C16H15N5O4/c22-15(23)7-4-8-19-11-14(21(24)25)16(18-19)12-9-17-20(10-12)13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8H2,(H,22,23)/p-1