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

Systemtic Name: methyl 2-[4-(4-nitropyrazol-1-yl)butanoylamino]benzoate Openeye Name: methyl 2-[4-(4-nitropyrazol-1-yl)butanoylamino]benzoate CAS Name: 2-[[4-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(4-nitropyrazol-1-yl)butanoylamino]benzoate Traditional Name: 2-[4-(4-nitropyrazol-1-yl)butanoylamino]benzoic acid methyl ester Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O5/c1-24-15(21)12-5-2-3-6-13(12)17-14(20)7-4-8-18-10-11(9-16-18)19(22)23/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,17,20)