4-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]benzoate

Systemtic Name: 4-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]benzoate Openeye Name: 4-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]benzoate CAS Name: 4-[[3-(5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]benzoate IUPAC Name: 4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]benzoate Traditional Name: 4-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]benzoate Formula: C14H13N4O5- MolecularWeight: 317.27682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NC2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NC2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O5/c1-9-8-12(18(22)23)16-17(9)7-6-13(19)15-11-4-2-10(3-5-11)14(20)21/h2-5,8H,6-7H2,1H3,(H,15,19)(H,20,21)/p-1