3-azanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid

Systemtic Name: 3-azanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Openeye Name: 3-amino-4-(tert-butoxycarbonylamino)benzoic acid CAS Name: 3-amino-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid IUPAC Name: 3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Traditional Name: 3-amino-4-(tert-butoxycarbonylamino)benzoic acid Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C(=O)O)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C(=O)O)N

InChI

InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-9-5-4-7(10(15)16)6-8(9)13/h4-6H,13H2,1-3H3,(H,14,17)(H,15,16)