2-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[2-(4-chlorobenzyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Formula: C21H13ClN3O4- MolecularWeight: 406.79862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NC3=C(O2)C=CC(=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=NC3=C(O2)C=CC(=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-])Cl

InChI

InChI=1S/C21H14ClN3O4/c22-15-3-1-13(2-4-15)9-21-24-18-11-16(5-8-20(18)29-21)23-12-14-10-17(25(27)28)6-7-19(14)26/h1-8,10-12,26H,9H2/p-1