methyl (Z)-3-bromanyl-2-isocyano-3-(4-phenylmethoxyphenyl)prop-2-enoate

Systemtic Name: methyl (Z)-3-bromanyl-2-isocyano-3-(4-phenylmethoxyphenyl)prop-2-enoate Openeye Name: methyl (Z)-3-(4-benzyloxyphenyl)-3-bromo-2-isocyano-prop-2-enoate CAS Name: (Z)-3-bromo-2-isocyano-3-(4-phenylmethoxyphenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-bromo-2-isocyano-3-(4-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (Z)-3-(4-benzoxyphenyl)-3-bromo-2-isocyano-acrylic acid methyl ester Formula: C18H14BrNO3 MolecularWeight: 372.21266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrNO3/c1-20-17(18(21)22-2)16(19)14-8-10-15(11-9-14)23-12-13-6-4-3-5-7-13/h3-11H,12H2,2H3/b17-16-