4-[4-(4-nitropyrazol-1-yl)butanoylamino]benzoate

Systemtic Name: 4-[4-(4-nitropyrazol-1-yl)butanoylamino]benzoate Openeye Name: 4-[4-(4-nitropyrazol-1-yl)butanoylamino]benzoate CAS Name: 4-[[4-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]benzoate IUPAC Name: 4-[4-(4-nitropyrazol-1-yl)butanoylamino]benzoate Traditional Name: 4-[4-(4-nitropyrazol-1-yl)butanoylamino]benzoate Formula: C14H13N4O5- MolecularWeight: 317.27682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O5/c19-13(16-11-5-3-10(4-6-11)14(20)21)2-1-7-17-9-12(8-15-17)18(22)23/h3-6,8-9H,1-2,7H2,(H,16,19)(H,20,21)/p-1