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

Systemtic Name: ethyl (E)-3-[(1-ethyl-4-nitro-pyrazol-3-yl)carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[(1-ethyl-4-nitro-pyrazole-3-carbonyl)amino]but-2-enoate CAS Name: (E)-3-[[(1-ethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]but-2-enoate Traditional Name: (E)-3-[(1-ethyl-4-nitro-pyrazole-3-carbonyl)amino]but-2-enoic acid ethyl ester Formula: C12H16N4O5 MolecularWeight: 296.27924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N/C(=C/C(=O)OCC)/C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O5/c1-4-15-7-9(16(19)20)11(14-15)12(18)13-8(3)6-10(17)21-5-2/h6-7H,4-5H2,1-3H3,(H,13,18)/b8-6+