ethyl (E)-3-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]but-2-enoate CAS Name: (E)-3-[[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]but-2-enoate Traditional Name: (E)-3-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]but-2-enoic acid ethyl ester Formula: C12H15BrN4O5 MolecularWeight: 375.1753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN4O5/c1-4-22-10(19)5-7(2)14-9(18)6-16-8(3)11(13)12(15-16)17(20)21/h5H,4,6H2,1-3H3,(H,14,18)/b7-5+