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

Systemtic Name: ethyl (E)-3-[(1,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[(1,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]but-2-enoate CAS Name: (E)-3-[[(1,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(1,5-dimethyl-4-nitropyrazole-3-carbonyl)amino]but-2-enoate Traditional Name: (E)-3-[(1,5-dimethyl-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:

CCOC(=O)C=C(C)NC(=O)C1=NN(C(=C1[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=NN(C(=C1[N+](=O)[O-])C)C

InChI

InChI=1S/C12H16N4O5/c1-5-21-9(17)6-7(2)13-12(18)10-11(16(19)20)8(3)15(4)14-10/h6H,5H2,1-4H3,(H,13,18)/b7-6+