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

Systemtic Name: methyl 3-(4-cyanophenyl)-3-isocyano-propanoate Openeye Name: methyl 3-(4-cyanophenyl)-3-isocyano-propanoate CAS Name: 3-(4-cyanophenyl)-3-isocyanopropanoic acid methyl ester IUPAC Name: methyl 3-(4-cyanophenyl)-3-isocyanopropanoate Traditional Name: 3-(4-cyanophenyl)-3-isocyano-propionic acid methyl ester Formula: C12H10N2O2 MolecularWeight: 214.22

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O2/c1-14-11(7-12(15)16-2)10-5-3-9(8-13)4-6-10/h3-6,11H,7H2,2H3