dipropan-2-yl 5-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-chloro-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C18H19ClN4O7 MolecularWeight: 438.81906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl)C(=O)OC(C)C

InChI

InChI=1S/C18H19ClN4O7/c1-8(2)29-17(25)10-5-11(18(26)30-9(3)4)7-12(6-10)20-16(24)14-13(19)15(22-21-14)23(27)28/h5-9H,1-4H3,(H,20,24)(H,21,22)