methyl (E)-2-isocyano-3-phenyl-3-[(phenylmethyl)amino]prop-2-enoate

Systemtic Name: methyl (E)-2-isocyano-3-phenyl-3-[(phenylmethyl)amino]prop-2-enoate Openeye Name: methyl (E)-3-(benzylamino)-2-isocyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-isocyano-3-phenyl-3-[(phenylmethyl)amino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(benzylamino)-2-isocyano-3-phenylprop-2-enoate Traditional Name: (E)-3-(benzylamino)-2-isocyano-3-phenyl-acrylic acid methyl ester Formula: C18H16N2O2 MolecularWeight: 292.33184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(C1=CC=CC=C1)NCC2=CC=CC=C2)[N+]#[C-]

Isomeric SMILES

COC(=O)/C(=C(/C1=CC=CC=C1)\NCC2=CC=CC=C2)/[N+]#[C-]

InChI

InChI=1S/C18H16N2O2/c1-19-17(18(21)22-2)16(15-11-7-4-8-12-15)20-13-14-9-5-3-6-10-14/h3-12,20H,13H2,2H3/b17-16+