tert-butyl (2S)-2-[(4-nitrophenyl)methyl]-1-oxidanylidene-3,4-dihydronaphthalene-2-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(4-nitrophenyl)methyl]-1-oxidanylidene-3,4-dihydronaphthalene-2-carboxylate Openeye Name: tert-butyl (2S)-2-[(4-nitrophenyl)methyl]-1-oxo-tetralin-2-carboxylate CAS Name: (2S)-2-[(4-nitrophenyl)methyl]-1-oxo-3,4-dihydronaphthalene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(4-nitrophenyl)methyl]-1-oxo-3,4-dihydronaphthalene-2-carboxylate Traditional Name: (2S)-1-keto-2-(4-nitrobenzyl)tetralin-2-carboxylic acid tert-butyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCC2=CC=CC=C2C1=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[C@@]1(CCC2=CC=CC=C2C1=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23NO5/c1-21(2,3)28-20(25)22(14-15-8-10-17(11-9-15)23(26)27)13-12-16-6-4-5-7-18(16)19(22)24/h4-11H,12-14H2,1-3H3/t22-/m0/s1