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

Systemtic Name: methyl 4-[[4-(4-nitropyrazol-1-yl)butanoylamino]methyl]benzoate Openeye Name: methyl 4-[[4-(4-nitropyrazol-1-yl)butanoylamino]methyl]benzoate CAS Name: 4-[[[4-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-nitropyrazol-1-yl)butanoylamino]methyl]benzoate Traditional Name: 4-[[4-(4-nitropyrazol-1-yl)butanoylamino]methyl]benzoic acid methyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O5/c1-25-16(22)13-6-4-12(5-7-13)9-17-15(21)3-2-8-19-11-14(10-18-19)20(23)24/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,21)