1-isocyanato-4-methyl-benzene; 2-[(2-methylpropan-2-yl)oxy]ethanoic acid

Systemtic Name: 1-isocyanato-4-methyl-benzene; 2-[(2-methylpropan-2-yl)oxy]ethanoic acid Openeye Name: 2-tert-butoxyacetic acid; 1-isocyanato-4-methyl-benzene CAS Name: 1-isocyanato-4-methylbenzene; 2-[(2-methylpropan-2-yl)oxy]acetic acid IUPAC Name: 1-isocyanato-4-methylbenzene; 2-[(2-methylpropan-2-yl)oxy]acetic acid Traditional Name: 2-tert-butoxyacetic acid; 1-isocyanato-4-methyl-benzene Formula: C14H19NO4 MolecularWeight: 265.30496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C=O.CC(C)(C)OCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N=C=O.CC(C)(C)OCC(=O)O

InChI

InChI=1S/C8H7NO.C6H12O3/c1-7-2-4-8(5-3-7)9-6-10;1-6(2,3)9-4-5(7)8/h2-5H,1H3;4H2,1-3H3,(H,7,8)