dipropan-2-yl 5-[3-(4-nitropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[3-(4-nitropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[3-(4-nitropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[3-(4-nitropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(4-nitropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C20H24N4O7 MolecularWeight: 432.42716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C20H24N4O7/c1-12(2)30-19(26)14-7-15(20(27)31-13(3)4)9-16(8-14)22-18(25)5-6-23-11-17(10-21-23)24(28)29/h7-13H,5-6H2,1-4H3,(H,22,25)