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

Systemtic Name: dipropan-2-yl 5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C21H26N4O7 MolecularWeight: 446.45374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC(=CC(=C2)C(=O)OC(C)C)C(=O)OC(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC(=CC(=C2)C(=O)OC(C)C)C(=O)OC(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O7/c1-11(2)31-20(27)15-7-16(21(28)32-12(3)4)9-17(8-15)22-18(26)10-24-14(6)19(25(29)30)13(5)23-24/h7-9,11-12H,10H2,1-6H3,(H,22,26)