ethyl (E)-3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]but-2-enoate CAS Name: (E)-3-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]but-2-enoate Traditional Name: (E)-3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]but-2-enoic acid ethyl ester Formula: C14H20N4O5 MolecularWeight: 324.3324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O5/c1-5-23-13(20)8-9(2)15-12(19)6-7-17-11(4)14(18(21)22)10(3)16-17/h8H,5-7H2,1-4H3,(H,15,19)/b9-8+