1-(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid

Systemtic Name: 1-(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid Openeye Name: 2-(tert-butoxycarbonylamino)-1-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)cyclopropanecarboxylic acid CAS Name: 1-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: 1-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid Traditional Name: 2-(tert-butoxycarbonylamino)-1-(4-keto-5-methyl-3,1-benzoxazin-2-yl)cyclopropanecarboxylic acid Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)C3(CC3NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)C3(CC3NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C18H20N2O6/c1-9-6-5-7-10-12(9)13(21)25-14(19-10)18(15(22)23)8-11(18)20-16(24)26-17(2,3)4/h5-7,11H,8H2,1-4H3,(H,20,24)(H,22,23)