methyl 3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

Systemtic Name: methyl 3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Openeye Name: methyl 3-(4-isocyanophenyl)-4,5-dihydroisoxazole-5-carboxylate CAS Name: 3-(4-isocyanophenyl)-4,5-dihydroisoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Traditional Name: 3-(4-isocyanophenyl)-2-isoxazoline-5-carboxylic acid methyl ester Formula: C12H10N2O3 MolecularWeight: 230.2194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=NO1)C2=CC=C(C=C2)[N+]#[C-]

Isomeric SMILES

COC(=O)C1CC(=NO1)C2=CC=C(C=C2)[N+]#[C-]

InChI

InChI=1S/C12H10N2O3/c1-13-9-5-3-8(4-6-9)10-7-11(17-14-10)12(15)16-2/h3-6,11H,7H2,2H3