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

Systemtic Name: 2-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-methyl-4-nitro-phenolate Openeye Name: 2-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-methyl-4-nitro-phenolate CAS Name: 2-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-6-methyl-4-nitrophenolate IUPAC Name: 2-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-6-methyl-4-nitrophenolate Traditional Name: 2-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-methyl-4-nitro-phenolate Formula: C22H15ClN3O4- MolecularWeight: 420.8252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC(=C4)Cl)[O-]

Isomeric SMILES

CC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC(=C4)Cl)[O-]

InChI

InChI=1S/C22H16ClN3O4/c1-12-8-16(26(28)29)9-14(21(12)27)11-24-18-5-3-4-17(13(18)2)22-25-19-10-15(23)6-7-20(19)30-22/h3-11,27H,1-2H3/p-1