1-[(2-methylpropan-2-yl)oxycarbonyl]-7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C2=C(CC(N1)C(=O)O)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1C2=C(CC(N1)C(=O)O)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6/c1-15(2,3)23-14(20)12-10-7-9(17(21)22)5-4-8(10)6-11(16-12)13(18)19/h4-5,7,11-12,16H,6H2,1-3H3,(H,18,19)