2-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]methyl]-6-nitro-4-(phenylmethyl)phenol

Systemtic Name: 2-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]methyl]-6-nitro-4-(phenylmethyl)phenol Openeye Name: 4-benzyl-2-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]methyl]-6-nitro-phenol CAS Name: 2-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]methyl]-6-nitro-4-(phenylmethyl)phenol IUPAC Name: 4-benzyl-2-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]methyl]-6-nitrophenol Traditional Name: 4-benzyl-2-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]methyl]-6-nitro-phenol Formula: C31H29N3O4 MolecularWeight: 507.57966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NCC4=C(C(=CC(=C4)CC5=CC=CC=C5)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NCC4=C(C(=CC(=C4)CC5=CC=CC=C5)[N+](=O)[O-])O

InChI

InChI=1S/C31H29N3O4/c1-31(2,3)24-11-9-22(10-12-24)30-33-26-18-25(13-14-28(26)38-30)32-19-23-16-21(15-20-7-5-4-6-8-20)17-27(29(23)35)34(36)37/h4-14,16-18,32,35H,15,19H2,1-3H3