dimethyl 5-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H20N4O7 MolecularWeight: 404.374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O7/c1-5-14(21-10(2)6-15(20-21)22(26)27)16(23)19-13-8-11(17(24)28-3)7-12(9-13)18(25)29-4/h6-9,14H,5H2,1-4H3,(H,19,23)