dimethyl 2-[(4-isocyanophenyl)methyl]propanedioate

Systemtic Name: dimethyl 2-[(4-isocyanophenyl)methyl]propanedioate Openeye Name: dimethyl 2-[(4-isocyanophenyl)methyl]propanedioate CAS Name: 2-[(4-isocyanophenyl)methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-isocyanophenyl)methyl]propanedioate Traditional Name: 2-(4-isocyanobenzyl)malonic acid dimethyl ester Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4/c1-14-10-6-4-9(5-7-10)8-11(12(15)17-2)13(16)18-3/h4-7,11H,8H2,2-3H3