4-chloranyl-2-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-phenolate Formula: C22H15ClN3O4- MolecularWeight: 420.8252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl)C

InChI

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