2-methylpropyl (E)-3-(4-acetamidophenyl)-2-isocyano-prop-2-enoate

Systemtic Name: 2-methylpropyl (E)-3-(4-acetamidophenyl)-2-isocyano-prop-2-enoate Openeye Name: isobutyl (E)-3-(4-acetamidophenyl)-2-isocyano-prop-2-enoate CAS Name: (E)-3-(4-acetamidophenyl)-2-isocyano-2-propenoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (E)-3-(4-acetamidophenyl)-2-isocyanoprop-2-enoate Traditional Name: (E)-3-(4-acetamidophenyl)-2-isocyano-acrylic acid isobutyl ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(=CC1=CC=C(C=C1)NC(=O)C)[N+]#[C-]

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-11(2)10-21-16(20)15(17-4)9-13-5-7-14(8-6-13)18-12(3)19/h5-9,11H,10H2,1-3H3,(H,18,19)/b15-9+