methyl 4-[2-(4-nitropyrazol-1-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-nitropyrazol-1-yl)propanoylamino]benzoate Openeye Name: methyl 4-[2-(4-nitropyrazol-1-yl)propanoylamino]benzoate CAS Name: 4-[[2-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-nitropyrazol-1-yl)propanoylamino]benzoate Traditional Name: 4-[2-(4-nitropyrazol-1-yl)propanoylamino]benzoic acid methyl ester Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O5/c1-9(17-8-12(7-15-17)18(21)22)13(19)16-11-5-3-10(4-6-11)14(20)23-2/h3-9H,1-2H3,(H,16,19)