ethyl (E)-3-[2-(4-nitropyrazol-1-yl)butanoylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[2-(4-nitropyrazol-1-yl)butanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[2-(4-nitropyrazol-1-yl)butanoylamino]but-2-enoate CAS Name: (E)-3-[[2-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-(4-nitropyrazol-1-yl)butanoylamino]but-2-enoate Traditional Name: (E)-3-[2-(4-nitropyrazol-1-yl)butanoylamino]but-2-enoic acid ethyl ester Formula: C13H18N4O5 MolecularWeight: 310.30582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O5/c1-4-11(16-8-10(7-14-16)17(20)21)13(19)15-9(3)6-12(18)22-5-2/h6-8,11H,4-5H2,1-3H3,(H,15,19)/b9-6+