4-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]benzoic acid

Systemtic Name: 4-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]benzoic acid Openeye Name: 4-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]benzoic acid CAS Name: 4-[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]benzoic acid Traditional Name: 4-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]benzoic acid Formula: C14H14N4O6 MolecularWeight: 334.28416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)N2C=C(C(=N2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)N2C=C(C(=N2)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O6/c1-8(17-7-11(18(22)23)13(16-17)24-2)12(19)15-10-5-3-9(4-6-10)14(20)21/h3-8H,1-2H3,(H,15,19)(H,20,21)