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

Systemtic Name: ethyl (E)-3-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]but-2-enoate Openeye Name: ethyl (E)-3-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]but-2-enoate CAS Name: (E)-3-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanoyl]amino]but-2-enoate Traditional Name: (E)-3-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]but-2-enoic acid ethyl ester Formula: C15H22N4O5 MolecularWeight: 338.35898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C(C)CN1C(=C(C(=N1)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C(C)CN1C(=C(C(=N1)C)[N+](=O)[O-])C

InChI

InChI=1S/C15H22N4O5/c1-6-24-13(20)7-10(3)16-15(21)9(2)8-18-12(5)14(19(22)23)11(4)17-18/h7,9H,6,8H2,1-5H3,(H,16,21)/b10-7+