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

Systemtic Name: dimethyl 5-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H18N4O7 MolecularWeight: 390.34742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1C(C)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)[N+](=O)[O-]

InChI

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