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

Systemtic Name: 4-[3-(1-methylpyrazol-4-yl)-4-nitro-pyrazol-1-yl]butanoate Openeye Name: 4-[3-(1-methylpyrazol-4-yl)-4-nitro-pyrazol-1-yl]butanoate CAS Name: 4-[3-(1-methyl-4-pyrazolyl)-4-nitro-1-pyrazolyl]butanoate IUPAC Name: 4-[3-(1-methylpyrazol-4-yl)-4-nitropyrazol-1-yl]butanoate Traditional Name: 4-[3-(1-methylpyrazol-4-yl)-4-nitro-pyrazol-1-yl]butyrate Formula: C11H12N5O4- MolecularWeight: 278.24408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NN(C=C2[N+](=O)[O-])CCCC(=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)C2=NN(C=C2[N+](=O)[O-])CCCC(=O)[O-]

InChI

InChI=1S/C11H13N5O4/c1-14-6-8(5-12-14)11-9(16(19)20)7-15(13-11)4-2-3-10(17)18/h5-7H,2-4H2,1H3,(H,17,18)/p-1