4-[2-(4-nitropyrazol-1-yl)propanoylamino]benzamide

Systemtic Name: 4-[2-(4-nitropyrazol-1-yl)propanoylamino]benzamide Openeye Name: 4-[2-(4-nitropyrazol-1-yl)propanoylamino]benzamide CAS Name: 4-[[2-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-(4-nitropyrazol-1-yl)propanoylamino]benzamide Traditional Name: 4-[2-(4-nitropyrazol-1-yl)propanoylamino]benzamide Formula: C13H13N5O4 MolecularWeight: 303.27342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O4/c1-8(17-7-11(6-15-17)18(21)22)13(20)16-10-4-2-9(3-5-10)12(14)19/h2-8H,1H3,(H2,14,19)(H,16,20)