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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

InChI

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