5-(2-tert-butylphenoxy)-6-nitro-3-(phenylmethyl)-1,3-benzoxazol-2-one

Systemtic Name: 5-(2-tert-butylphenoxy)-6-nitro-3-(phenylmethyl)-1,3-benzoxazol-2-one Openeye Name: 3-benzyl-5-(2-tert-butylphenoxy)-6-nitro-1,3-benzoxazol-2-one CAS Name: 5-(2-tert-butylphenoxy)-6-nitro-3-(phenylmethyl)-1,3-benzoxazol-2-one IUPAC Name: 3-benzyl-5-(2-tert-butylphenoxy)-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-benzyl-5-(2-tert-butylphenoxy)-6-nitro-1,3-benzoxazol-2-one Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OC2=C(C=C3C(=C2)N(C(=O)O3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OC2=C(C=C3C(=C2)N(C(=O)O3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O5/c1-24(2,3)17-11-7-8-12-20(17)30-22-13-18-21(14-19(22)26(28)29)31-23(27)25(18)15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3