tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate; 3-cyano-4-methyl-benzoic acid

Systemtic Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate; 3-cyano-4-methyl-benzoic acid Openeye Name: tert-butyl N-tert-butoxycarbonylcarbamate; 3-cyano-4-methyl-benzoic acid CAS Name: 3-cyano-4-methylbenzoic acid; N-[(2-methylpropan-2-yl)oxy-oxomethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate; 3-cyano-4-methylbenzoic acid Traditional Name: N-tert-butoxycarbonylcarbamic acid tert-butyl ester; 3-cyano-4-methyl-benzoic acid Formula: C19H26N2O6 MolecularWeight: 378.41954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)C#N.CC(C)(C)OC(=O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)C#N.CC(C)(C)OC(=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C10H19NO4.C9H7NO2/c1-9(2,3)14-7(12)11-8(13)15-10(4,5)6;1-6-2-3-7(9(11)12)4-8(6)5-10/h1-6H3,(H,11,12,13);2-4H,1H3,(H,11,12)