4-[4-[(4-methyl-3-nitro-phenyl)carbonylamino]pyrazol-1-yl]butanoic acid

Systemtic Name: 4-[4-[(4-methyl-3-nitro-phenyl)carbonylamino]pyrazol-1-yl]butanoic acid Openeye Name: 4-[4-[(4-methyl-3-nitro-benzoyl)amino]pyrazol-1-yl]butanoic acid CAS Name: 4-[4-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-1-pyrazolyl]butanoic acid IUPAC Name: 4-[4-[(4-methyl-3-nitrobenzoyl)amino]pyrazol-1-yl]butanoic acid Traditional Name: 4-[4-[(4-methyl-3-nitro-benzoyl)amino]pyrazol-1-yl]butyric acid Formula: C15H16N4O5 MolecularWeight: 332.31134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CN(N=C2)CCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CN(N=C2)CCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O5/c1-10-4-5-11(7-13(10)19(23)24)15(22)17-12-8-16-18(9-12)6-2-3-14(20)21/h4-5,7-9H,2-3,6H2,1H3,(H,17,22)(H,20,21)