3-[3-bromanyl-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]-2-(3-nitrophenyl)prop-2-enenitrile

Systemtic Name: 3-[3-bromanyl-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]-2-(3-nitrophenyl)prop-2-enenitrile Openeye Name: 3-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]-2-(3-nitrophenyl)prop-2-enenitrile CAS Name: 3-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]-2-(3-nitrophenyl)-2-propenenitrile IUPAC Name: 3-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]-2-(3-nitrophenyl)prop-2-enenitrile Traditional Name: 3-[3-bromo-4-(3-fluorobenzyl)oxy-5-methoxy-phenyl]-2-(3-nitrophenyl)acrylonitrile Formula: C23H16BrFN2O4 MolecularWeight: 483.286543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC(=CC=C2)[N+](=O)[O-])Br)OCC3=CC(=CC=C3)F

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC(=CC=C2)[N+](=O)[O-])Br)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C23H16BrFN2O4/c1-30-22-11-16(8-18(13-26)17-5-3-7-20(12-17)27(28)29)10-21(24)23(22)31-14-15-4-2-6-19(25)9-15/h2-12H,14H2,1H3