4-[(4-nitrophenyl)methylamino]oxane-4-carboxylic acid

Systemtic Name: 4-[(4-nitrophenyl)methylamino]oxane-4-carboxylic acid Openeye Name: 4-[(4-nitrophenyl)methylamino]tetrahydropyran-4-carboxylic acid CAS Name: 4-[(4-nitrophenyl)methylamino]-4-oxanecarboxylic acid IUPAC Name: 4-[(4-nitrophenyl)methylamino]oxane-4-carboxylic acid Traditional Name: 4-[(4-nitrobenzyl)amino]tetrahydropyran-4-carboxylic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C(=O)O)NCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1COCCC1(C(=O)O)NCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c16-12(17)13(5-7-20-8-6-13)14-9-10-1-3-11(4-2-10)15(18)19/h1-4,14H,5-9H2,(H,16,17)