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

Systemtic Name: ethyl (E)-3-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]but-2-enoate CAS Name: (E)-3-[[[5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]but-2-enoate Traditional Name: (E)-3-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furoyl]amino]but-2-enoic acid ethyl ester Formula: C15H15BrN4O6 MolecularWeight: 427.2068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C1=CC=C(O1)CN2C=C(C(=N2)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=CC=C(O1)CN2C=C(C(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C15H15BrN4O6/c1-3-25-13(21)6-9(2)17-15(22)12-5-4-10(26-12)7-19-8-11(16)14(18-19)20(23)24/h4-6,8H,3,7H2,1-2H3,(H,17,22)/b9-6+