ethyl (E)-3-[2-(3-methyl-4-nitro-pyrazol-1-yl)ethanoylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[2-(3-methyl-4-nitro-pyrazol-1-yl)ethanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[2-(3-methyl-4-nitro-pyrazol-1-yl)acetyl]amino]but-2-enoate CAS Name: (E)-3-[[2-(3-methyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]but-2-enoate Traditional Name: (E)-3-[[2-(3-methyl-4-nitro-pyrazol-1-yl)acetyl]amino]but-2-enoic acid ethyl ester Formula: C12H16N4O5 MolecularWeight: 296.27924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O5/c1-4-21-12(18)5-8(2)13-11(17)7-15-6-10(16(19)20)9(3)14-15/h5-6H,4,7H2,1-3H3,(H,13,17)/b8-5+