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

Systemtic Name: methyl 2-[[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carbonyl]amino]acetate CAS Name: 2-[[[1-(2-cyanoethyl)-3-(3-nitrophenyl)-4-pyrazolyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carbonyl]amino]acetate Traditional Name: 2-[[1-(2-cyanoethyl)-3-(3-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(=CC=C2)[N+](=O)[O-])CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O5/c1-26-14(22)9-18-16(23)13-10-20(7-3-6-17)19-15(13)11-4-2-5-12(8-11)21(24)25/h2,4-5,8,10H,3,7,9H2,1H3,(H,18,23)