4-[4-[(3-nitrophenyl)carbonylamino]pyrazol-1-yl]butanoate

Systemtic Name: 4-[4-[(3-nitrophenyl)carbonylamino]pyrazol-1-yl]butanoate Openeye Name: 4-[4-[(3-nitrobenzoyl)amino]pyrazol-1-yl]butanoate CAS Name: 4-[4-[[(3-nitrophenyl)-oxomethyl]amino]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-[(3-nitrobenzoyl)amino]pyrazol-1-yl]butanoate Traditional Name: 4-[4-[(3-nitrobenzoyl)amino]pyrazol-1-yl]butyrate Formula: C14H13N4O5- MolecularWeight: 317.27682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CN(N=C2)CCCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CN(N=C2)CCCC(=O)[O-]

InChI

InChI=1S/C14H14N4O5/c19-13(20)5-2-6-17-9-11(8-15-17)16-14(21)10-3-1-4-12(7-10)18(22)23/h1,3-4,7-9H,2,5-6H2,(H,16,21)(H,19,20)/p-1