6-[[[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]amino]methylidene]-2-methyl-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]amino]methylidene]-2-methyl-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-anilino]methylene]-2-methyl-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]methylidene]-2-methyl-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]methylidene]-2-methyl-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-anilino]methylene]-2-methyl-4-nitro-cyclohexa-2,4-dien-1-one Formula: C22H16ClN3O4 MolecularWeight: 421.83314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=CNC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC(=C4)Cl)C1=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=CNC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC(=C4)Cl)C1=O)[N+](=O)[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/h3-11,24H,1-2H3