methyl (E)-2-isocyano-3-[4-(2-methylpropoxycarbonylamino)phenyl]prop-2-enoate

Systemtic Name: methyl (E)-2-isocyano-3-[4-(2-methylpropoxycarbonylamino)phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-(isobutoxycarbonylamino)phenyl]-2-isocyano-prop-2-enoate CAS Name: (E)-2-isocyano-3-[4-[[2-methylpropoxy(oxo)methyl]amino]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-isocyano-3-[4-(2-methylpropoxycarbonylamino)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(isobutoxycarbonylamino)phenyl]-2-isocyano-acrylic acid methyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC1=CC=C(C=C1)C=C(C(=O)OC)[N+]#[C-]

Isomeric SMILES

CC(C)COC(=O)NC1=CC=C(C=C1)/C=C(\C(=O)OC)/[N+]#[C-]

InChI

InChI=1S/C16H18N2O4/c1-11(2)10-22-16(20)18-13-7-5-12(6-8-13)9-14(17-3)15(19)21-4/h5-9,11H,10H2,1-2,4H3,(H,18,20)/b14-9+