(4-chlorophenyl)-[5-(2,6-dimethyl-4-nitro-phenoxy)-2-oxidanyl-phenyl]methanone

Systemtic Name: (4-chlorophenyl)-[5-(2,6-dimethyl-4-nitro-phenoxy)-2-oxidanyl-phenyl]methanone Openeye Name: (4-chlorophenyl)-[5-(2,6-dimethyl-4-nitro-phenoxy)-2-hydroxy-phenyl]methanone CAS Name: (4-chlorophenyl)-[5-(2,6-dimethyl-4-nitrophenoxy)-2-hydroxyphenyl]methanone IUPAC Name: (4-chlorophenyl)-[5-(2,6-dimethyl-4-nitrophenoxy)-2-hydroxyphenyl]methanone Traditional Name: (4-chlorophenyl)-[5-(2,6-dimethyl-4-nitro-phenoxy)-2-hydroxy-phenyl]methanone Formula: C21H16ClNO5 MolecularWeight: 397.80844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(=O)C3=CC=C(C=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(=O)C3=CC=C(C=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClNO5/c1-12-9-16(23(26)27)10-13(2)21(12)28-17-7-8-19(24)18(11-17)20(25)14-3-5-15(22)6-4-14/h3-11,24H,1-2H3