methyl (Z)-3-bromanyl-2-isocyano-3-(3-phenoxyphenyl)prop-2-enoate

Systemtic Name: methyl (Z)-3-bromanyl-2-isocyano-3-(3-phenoxyphenyl)prop-2-enoate Openeye Name: methyl (Z)-3-bromo-2-isocyano-3-(3-phenoxyphenyl)prop-2-enoate CAS Name: (Z)-3-bromo-2-isocyano-3-(3-phenoxyphenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-bromo-2-isocyano-3-(3-phenoxyphenyl)prop-2-enoate Traditional Name: (Z)-3-bromo-2-isocyano-3-(3-phenoxyphenyl)acrylic acid methyl ester Formula: C17H12BrNO3 MolecularWeight: 358.18608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(C1=CC(=CC=C1)OC2=CC=CC=C2)Br)[N+]#[C-]

Isomeric SMILES

COC(=O)/C(=C(\C1=CC(=CC=C1)OC2=CC=CC=C2)/Br)/[N+]#[C-]

InChI

InChI=1S/C17H12BrNO3/c1-19-16(17(20)21-2)15(18)12-7-6-10-14(11-12)22-13-8-4-3-5-9-13/h3-11H,2H3/b16-15-