tert-butyl (3S,6S)-3-methyl-6-[(4-nitrophenyl)carbonyloxymethyl]-3,6-dihydro-1,2-oxazine-2-carboxylate

Systemtic Name: tert-butyl (3S,6S)-3-methyl-6-[(4-nitrophenyl)carbonyloxymethyl]-3,6-dihydro-1,2-oxazine-2-carboxylate Openeye Name: tert-butyl (3S,6S)-3-methyl-6-[(4-nitrobenzoyl)oxymethyl]-3,6-dihydrooxazine-2-carboxylate CAS Name: (3S,6S)-3-methyl-6-[[(4-nitrophenyl)-oxomethoxy]methyl]-3,6-dihydrooxazine-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,6S)-3-methyl-6-[(4-nitrobenzoyl)oxymethyl]-3,6-dihydrooxazine-2-carboxylate Traditional Name: (3S,6S)-3-methyl-6-[(4-nitrobenzoyl)oxymethyl]-3,6-dihydrooxazine-2-carboxylic acid tert-butyl ester Formula: C18H22N2O7 MolecularWeight: 378.37648

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(ON1C(=O)OC(C)(C)C)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C=C[C@H](ON1C(=O)OC(C)(C)C)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O7/c1-12-5-10-15(27-19(12)17(22)26-18(2,3)4)11-25-16(21)13-6-8-14(9-7-13)20(23)24/h5-10,12,15H,11H2,1-4H3/t12-,15-/m0/s1