(4-nitrophenyl)methyl (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acrylic acid (4-nitrobenzyl) ester Formula: C17H14BrNO6 MolecularWeight: 408.20016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Br)O

InChI

InChI=1S/C17H14BrNO6/c1-24-15-9-12(8-14(18)17(15)21)4-7-16(20)25-10-11-2-5-13(6-3-11)19(22)23/h2-9,21H,10H2,1H3/b7-4+