2-[(E)-2-isocyano-3-(4-methylphenyl)prop-2-enoyl]oxyethyl 2,2-dimethylbutanoate

Systemtic Name: 2-[(E)-2-isocyano-3-(4-methylphenyl)prop-2-enoyl]oxyethyl 2,2-dimethylbutanoate Openeye Name: 2-[(E)-2-isocyano-3-(p-tolyl)prop-2-enoyl]oxyethyl 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid 2-[(E)-2-isocyano-3-(4-methylphenyl)-1-oxoprop-2-enoxy]ethyl ester IUPAC Name: 2-[(E)-2-isocyano-3-(4-methylphenyl)prop-2-enoyl]oxyethyl 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid 2-[(E)-2-isocyano-3-(p-tolyl)acryloyl]oxyethyl ester Formula: C19H23NO4 MolecularWeight: 329.39022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCCOC(=O)C(=CC1=CC=C(C=C1)C)[N+]#[C-]

Isomeric SMILES

CCC(C)(C)C(=O)OCCOC(=O)/C(=C\C1=CC=C(C=C1)C)/[N+]#[C-]

InChI

InChI=1S/C19H23NO4/c1-6-19(3,4)18(22)24-12-11-23-17(21)16(20-5)13-15-9-7-14(2)8-10-15/h7-10,13H,6,11-12H2,1-4H3/b16-13+