methyl 3-(4-cyanophenyl)-2-isocyano-2-methyl-propanoate

Systemtic Name: methyl 3-(4-cyanophenyl)-2-isocyano-2-methyl-propanoate Openeye Name: methyl 3-(4-cyanophenyl)-2-isocyano-2-methyl-propanoate CAS Name: 3-(4-cyanophenyl)-2-isocyano-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-(4-cyanophenyl)-2-isocyano-2-methylpropanoate Traditional Name: 3-(4-cyanophenyl)-2-isocyano-2-methyl-propionic acid methyl ester Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O2/c1-13(15-2,12(16)17-3)8-10-4-6-11(9-14)7-5-10/h4-7H,8H2,1,3H3