methyl 6-[[1-(4-nitrophenyl)pyrazol-4-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[1-(4-nitrophenyl)pyrazol-4-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[1-(4-nitrophenyl)pyrazole-4-carbonyl]amino]hexanoate CAS Name: 6-[[[1-(4-nitrophenyl)-4-pyrazolyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(4-nitrophenyl)pyrazole-4-carbonyl]amino]hexanoate Traditional Name: 6-[[1-(4-nitrophenyl)pyrazole-4-carbonyl]amino]hexanoic acid methyl ester Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=CN(N=C1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=CN(N=C1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5/c1-26-16(22)5-3-2-4-10-18-17(23)13-11-19-20(12-13)14-6-8-15(9-7-14)21(24)25/h6-9,11-12H,2-5,10H2,1H3,(H,18,23)