4-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]benzoic acid

Systemtic Name: 4-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]benzoic acid Openeye Name: 4-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]benzoic acid CAS Name: 4-[[3-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]benzoic acid Traditional Name: 4-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]benzoic acid Formula: C14H14N4O6 MolecularWeight: 334.28416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H14N4O6/c1-24-13-11(18(22)23)8-17(16-13)7-6-12(19)15-10-4-2-9(3-5-10)14(20)21/h2-5,8H,6-7H2,1H3,(H,15,19)(H,20,21)