azane; 4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid

Systemtic Name: azane; 4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid Openeye Name: ammonia; 4-tert-butoxycarbonylbenzoic acid CAS Name: ammonia; 4-[(2-methylpropan-2-yl)oxy-oxomethyl]benzoic acid IUPAC Name: azane; 4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid Traditional Name: ammonia; 4-tert-butoxycarbonylbenzoic acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)C(=O)O.N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)C(=O)O.N

InChI

InChI=1S/C12H14O4.H3N/c1-12(2,3)16-11(15)9-6-4-8(5-7-9)10(13)14;/h4-7H,1-3H3,(H,13,14);1H3