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

Systemtic Name: dimethyl 5-[2-(4-nitropyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(4-nitropyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(4-nitropyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(4-nitropyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H18N4O7 MolecularWeight: 390.34742

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=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O7/c1-4-14(20-9-13(8-18-20)21(25)26)15(22)19-12-6-10(16(23)27-2)5-11(7-12)17(24)28-3/h5-9,14H,4H2,1-3H3,(H,19,22)