4-[4-(4-nitropyrazol-1-yl)butanoylamino]benzoic acid

Systemtic Name: 4-[4-(4-nitropyrazol-1-yl)butanoylamino]benzoic acid Openeye Name: 4-[4-(4-nitropyrazol-1-yl)butanoylamino]benzoic acid CAS Name: 4-[[4-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[4-(4-nitropyrazol-1-yl)butanoylamino]benzoic acid Traditional Name: 4-[4-(4-nitropyrazol-1-yl)butanoylamino]benzoic acid Formula: C14H14N4O5 MolecularWeight: 318.28476

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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)