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

Systemtic Name: 4-chloranyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-nitro-6-[[2-(p-tolyl)-1,3-benzoxazol-5-yl]iminomethyl]phenolate CAS Name: 4-chloro-2-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-nitro-6-[[2-(p-tolyl)-1,3-benzoxazol-5-yl]iminomethyl]phenolate Formula: C21H13ClN3O4- MolecularWeight: 406.79862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C21H14ClN3O4/c1-12-2-4-13(5-3-12)21-24-17-10-16(6-7-19(17)29-21)23-11-14-8-15(22)9-18(20(14)26)25(27)28/h2-11,26H,1H3/p-1