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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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