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

Systemtic Name: dimethyl 5-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H20N4O7 MolecularWeight: 404.374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O7/c1-10-16(22(26)27)11(2)21(20-10)6-5-15(23)19-14-8-12(17(24)28-3)7-13(9-14)18(25)29-4/h7-9H,5-6H2,1-4H3,(H,19,23)