ethyl (E)-3-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]but-2-enoate CAS Name: (E)-3-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]but-2-enoate Traditional Name: (E)-3-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]but-2-enoic acid ethyl ester Formula: C14H20N4O5 MolecularWeight: 324.3324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(=CC(=O)OCC)C)N1C(=CC(=N1)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)N/C(=C/C(=O)OCC)/C)N1C(=CC(=N1)[N+](=O)[O-])C

InChI

InChI=1S/C14H20N4O5/c1-5-11(17-10(4)8-12(16-17)18(21)22)14(20)15-9(3)7-13(19)23-6-2/h7-8,11H,5-6H2,1-4H3,(H,15,20)/b9-7+