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

Systemtic Name: ethyl (E)-3-[2-(3-methoxy-4-nitro-pyrazol-1-yl)ethanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)acetyl]amino]but-2-enoate CAS Name: (E)-3-[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[2-(3-methoxy-4-nitropyrazol-1-yl)acetyl]amino]but-2-enoate Traditional Name: (E)-3-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)acetyl]amino]but-2-enoic acid ethyl ester Formula: C12H16N4O6 MolecularWeight: 312.27864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O6/c1-4-22-11(18)5-8(2)13-10(17)7-15-6-9(16(19)20)12(14-15)21-3/h5-6H,4,7H2,1-3H3,(H,13,17)/b8-5+