(E)-1-(4-bromanylthiophen-2-yl)-3-[4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-bromanylthiophen-2-yl)-3-[4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl]prop-2-en-1-one Openeye Name: (E)-1-(4-bromo-2-thienyl)-3-[4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-bromo-2-thiophenyl)-3-[4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-bromothiophen-2-yl)-3-[4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-bromo-2-thienyl)-3-[4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl]prop-2-en-1-one Formula: C21H16BrNO5S MolecularWeight: 474.32444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=CS2)Br)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=CS2)Br)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16BrNO5S/c1-27-20-9-3-14(2-8-19(24)21-11-16(22)13-29-21)10-15(20)12-28-18-6-4-17(5-7-18)23(25)26/h2-11,13H,12H2,1H3/b8-2+