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

Systemtic Name: dipropan-2-yl 5-[2-(4-nitropyrazol-1-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C19H22N4O7 MolecularWeight: 418.40058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=C(C=N2)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=C(C=N2)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C19H22N4O7/c1-11(2)29-18(25)13-5-14(19(26)30-12(3)4)7-15(6-13)21-17(24)10-22-9-16(8-20-22)23(27)28/h5-9,11-12H,10H2,1-4H3,(H,21,24)