methyl 2-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]acetate CAS Name: 2-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]acetate Traditional Name: 2-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]acetic acid methyl ester Formula: C17H22N4O5 MolecularWeight: 362.38038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=NN(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)CNC(=O)C1=NN(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H22N4O5/c1-26-14(22)8-18-16(23)15-13(21(24)25)9-20(19-15)17-5-10-2-11(6-17)4-12(3-10)7-17/h9-12H,2-8H2,1H3,(H,18,23)