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

Systemtic Name: dimethyl 5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C17H18N4O7 MolecularWeight: 390.34742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O7/c1-9-15(21(25)26)10(2)20(19-9)8-14(22)18-13-6-11(16(23)27-3)5-12(7-13)17(24)28-4/h5-7H,8H2,1-4H3,(H,18,22)