[2-(3-nitropyrazol-1-yl)ethanoylamino] propanoate

Systemtic Name: [2-(3-nitropyrazol-1-yl)ethanoylamino] propanoate Openeye Name: [[2-(3-nitropyrazol-1-yl)acetyl]amino] propanoate CAS Name: propanoic acid [[2-(3-nitro-1-pyrazolyl)-1-oxoethyl]amino] ester IUPAC Name: [[2-(3-nitropyrazol-1-yl)acetyl]amino] propanoate Traditional Name: propionic acid [[2-(3-nitropyrazol-1-yl)acetyl]amino] ester Formula: C8H10N4O5 MolecularWeight: 242.1888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ONC(=O)CN1C=CC(=N1)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)ONC(=O)CN1C=CC(=N1)[N+](=O)[O-]

InChI

InChI=1S/C8H10N4O5/c1-2-8(14)17-10-7(13)5-11-4-3-6(9-11)12(15)16/h3-4H,2,5H2,1H3,(H,10,13)