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

Systemtic Name: 4-bromanyl-6-[[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)anilino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)anilino]methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)anilino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)anilino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C22H16BrN3O4 MolecularWeight: 466.28414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=C(C(=CC=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=C(C(=CC=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Br)C

InChI

InChI=1S/C22H16BrN3O4/c1-12-6-7-20-18(8-12)25-22(30-20)16-4-3-5-17(13(16)2)24-11-14-9-15(23)10-19(21(14)27)26(28)29/h3-11,24H,1-2H3