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

Systemtic Name: dimethyl 5-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(5-methyl-3,4-dinitro-1-pyrazolyl)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(5-methyl-3,4-dinitropyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H15N5O9 MolecularWeight: 421.3184

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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)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O9/c1-8-13(20(25)26)14(21(27)28)18-19(8)7-12(22)17-11-5-9(15(23)29-2)4-10(6-11)16(24)30-3/h4-6H,7H2,1-3H3,(H,17,22)