dimethyl 5-[2-(3-nitropyrazol-1-yl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(3-nitropyrazol-1-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(3-nitro-1-pyrazolyl)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C15H14N4O7 MolecularWeight: 362.29426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC(=N2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC(=N2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H14N4O7/c1-25-14(21)9-5-10(15(22)26-2)7-11(6-9)16-13(20)8-18-4-3-12(17-18)19(23)24/h3-7H,8H2,1-2H3,(H,16,20)