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

Systemtic Name: ethyl (E)-3-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]but-2-enoate CAS Name: (E)-3-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]but-2-enoate Traditional Name: (E)-3-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]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)CCN1C=C(C(=N1)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)CCN1C=C(C(=N1)[N+](=O)[O-])Br

InChI

InChI=1S/C12H15BrN4O5/c1-3-22-11(19)6-8(2)14-10(18)4-5-16-7-9(13)12(15-16)17(20)21/h6-7H,3-5H2,1-2H3,(H,14,18)/b8-6+