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

Systemtic Name: dimethyl 5-[(1-ethyl-4-nitro-pyrazol-3-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(1-ethyl-4-nitro-pyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(1-ethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(1-ethyl-4-nitro-pyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H16N4O7 MolecularWeight: 376.32084

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O7/c1-4-19-8-12(20(24)25)13(18-19)14(21)17-11-6-9(15(22)26-2)5-10(7-11)16(23)27-3/h5-8H,4H2,1-3H3,(H,17,21)