(E)-3-(1,3-benzoxazol-2-yl)-4-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]but-3-enoate

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]but-3-enoate Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]but-3-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-3-butenoate IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-[4-(4-tert-butylphenoxy)-3-nitrophenyl]but-3-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]but-3-enoate Formula: C27H23N2O6- MolecularWeight: 471.48132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C=C(CC(=O)[O-])C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)/C=C(\CC(=O)[O-])/C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C27H24N2O6/c1-27(2,3)19-9-11-20(12-10-19)34-24-13-8-17(15-22(24)29(32)33)14-18(16-25(30)31)26-28-21-6-4-5-7-23(21)35-26/h4-15H,16H2,1-3H3,(H,30,31)/p-1/b18-14+