4-[4-[(4-chloranyl-3-nitro-phenyl)carbonylamino]pyrazol-1-yl]butanoate

Systemtic Name: 4-[4-[(4-chloranyl-3-nitro-phenyl)carbonylamino]pyrazol-1-yl]butanoate Openeye Name: 4-[4-[(4-chloro-3-nitro-benzoyl)amino]pyrazol-1-yl]butanoate CAS Name: 4-[4-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-[(4-chloro-3-nitrobenzoyl)amino]pyrazol-1-yl]butanoate Traditional Name: 4-[4-[(4-chloro-3-nitro-benzoyl)amino]pyrazol-1-yl]butyrate Formula: C14H12ClN4O5- MolecularWeight: 351.72188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=CN(N=C2)CCCC(=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=CN(N=C2)CCCC(=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C14H13ClN4O5/c15-11-4-3-9(6-12(11)19(23)24)14(22)17-10-7-16-18(8-10)5-1-2-13(20)21/h3-4,6-8H,1-2,5H2,(H,17,22)(H,20,21)/p-1