2-ethoxy-4-nitro-6-[[4-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenolate

Systemtic Name: 2-ethoxy-4-nitro-6-[[4-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenolate Openeye Name: 2-ethoxy-4-nitro-6-[[4-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenolate CAS Name: 2-ethoxy-4-nitro-6-[[4-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenolate IUPAC Name: 2-ethoxy-4-nitro-6-[[4-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenolate Traditional Name: 2-ethoxy-4-nitro-6-[[4-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenolate Formula: C28H20N3O5- MolecularWeight: 478.4755

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C5=CC=CC=C5)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C28H21N3O5/c1-2-35-26-16-23(31(33)34)14-21(27(26)32)17-29-22-11-8-19(9-12-22)28-30-24-15-20(10-13-25(24)36-28)18-6-4-3-5-7-18/h3-17,32H,2H2,1H3/p-1