methyl 2-[[1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazol-4-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazol-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carbonyl]amino]acetate CAS Name: 2-[[[1-(2-cyanoethyl)-3-(4-nitrophenyl)-4-pyrazolyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carbonyl]amino]acetate Traditional Name: 2-[[1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carbonyl]amino]acetic acid methyl ester Formula: C16H15N5O5 MolecularWeight: 357.3208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])CCC#N

Isomeric SMILES

COC(=O)CNC(=O)C1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C16H15N5O5/c1-26-14(22)9-18-16(23)13-10-20(8-2-7-17)19-15(13)11-3-5-12(6-4-11)21(24)25/h3-6,10H,2,8-9H2,1H3,(H,18,23)