dimethyl 5-[2-(4-nitropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-nitropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(4-nitropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(4-nitropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(4-nitropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H16N4O7 MolecularWeight: 376.32084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O7/c1-9(19-8-13(7-17-19)20(24)25)14(21)18-12-5-10(15(22)26-2)4-11(6-12)16(23)27-3/h4-9H,1-3H3,(H,18,21)