(E)-3-[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]-1-(3-methoxy-4-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]-1-(3-methoxy-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-3-[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furyl]-1-(4-hydroxy-3-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-3-[5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furanyl]-1-(4-hydroxy-3-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-[5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-yl]-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furyl]-1-(4-hydroxy-3-methoxy-phenyl)prop-2-en-1-one Formula: C18H14BrN3O6 MolecularWeight: 448.22426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C=CC2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)/C=C/C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)O

InChI

InChI=1S/C18H14BrN3O6/c1-27-17-8-11(2-6-16(17)24)15(23)7-5-12-3-4-13(28-12)9-21-10-14(19)18(20-21)22(25)26/h2-8,10,24H,9H2,1H3/b7-5+