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

Systemtic Name: ethyl (E)-3-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]but-2-enoate CAS Name: (E)-3-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]but-2-enoate Traditional Name: (E)-3-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]but-2-enoic acid ethyl ester Formula: C13H18N4O5 MolecularWeight: 310.30582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C(C)N1C(=CC(=N1)[N+](=O)[O-])C

InChI

InChI=1S/C13H18N4O5/c1-5-22-12(18)6-8(2)14-13(19)10(4)16-9(3)7-11(15-16)17(20)21/h6-7,10H,5H2,1-4H3,(H,14,19)/b8-6+