2-[3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-isocyanophenyl)-4,5-dihydroisoxazol-5-yl]acetic acid CAS Name: 2-[3-(4-isocyanophenyl)-4,5-dihydroisoxazol-5-yl]acetic acid IUPAC Name: 2-[3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[3-(4-isocyanophenyl)-2-isoxazolin-5-yl]acetic acid Formula: C12H10N2O3 MolecularWeight: 230.2194

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)C2=NOC(C2)CC(=O)O

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)C2=NOC(C2)CC(=O)O

InChI

InChI=1S/C12H10N2O3/c1-13-9-4-2-8(3-5-9)11-6-10(17-14-11)7-12(15)16/h2-5,10H,6-7H2,(H,15,16)