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

Systemtic Name: ethyl (E)-3-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]but-2-enoate CAS Name: (E)-3-[[3-(5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]but-2-enoate Traditional Name: (E)-3-[3-(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)CCN1C(=CC(=N1)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)CCN1C(=CC(=N1)[N+](=O)[O-])C

InChI

InChI=1S/C13H18N4O5/c1-4-22-13(19)7-9(2)14-12(18)5-6-16-10(3)8-11(15-16)17(20)21/h7-8H,4-6H2,1-3H3,(H,14,18)/b9-7+