ethyl (E)-3-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]but-2-enoate CAS Name: (E)-3-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]but-2-enoate Traditional Name: (E)-3-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]but-2-enoic acid ethyl ester Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=NN(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N4O5/c1-3-29-17(25)4-12(2)21-19(26)18-16(24(27)28)11-23(22-18)20-8-13-5-14(9-20)7-15(6-13)10-20/h4,11,13-15H,3,5-10H2,1-2H3,(H,21,26)/b12-4+