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

Systemtic Name: 2-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[2-(4-chlorobenzyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate Formula: C21H13ClN3O4- MolecularWeight: 406.79862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])[O-])C=NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])[O-])C=NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl

InChI

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