2-[(2S)-5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl]-6-nitro-phenolate

Systemtic Name: 2-[(2S)-5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl]-6-nitro-phenolate Openeye Name: 2-[(2S)-5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl]-6-nitro-phenolate CAS Name: 2-[(2S)-5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl]-6-nitrophenolate IUPAC Name: 2-[(2S)-5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl]-6-nitrophenolate Traditional Name: 2-[(2S)-5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl]-6-nitro-phenolate Formula: C21H25N2O4- MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)NC(O2)C3=C(C(=CC=C3)[N+](=O)[O-])[O-])C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)N[C@@H](O2)C3=C(C(=CC=C3)[N+](=O)[O-])[O-])C(C)(C)C

InChI

InChI=1S/C21H26N2O4/c1-20(2,3)12-10-14(21(4,5)6)18-15(11-12)22-19(27-18)13-8-7-9-16(17(13)24)23(25)26/h7-11,19,22,24H,1-6H3/p-1/t19-/m0/s1