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

Systemtic Name: 6-[[[4-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]amino]methylidene]-2-bromanyl-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(1,3-benzoxazol-2-yl)-2-methyl-anilino]methylene]-2-bromo-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[4-(1,3-benzoxazol-2-yl)-2-methylanilino]methylidene]-2-bromo-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-(1,3-benzoxazol-2-yl)-2-methylanilino]methylidene]-2-bromo-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(1,3-benzoxazol-2-yl)-2-methyl-anilino]methylene]-2-bromo-4-nitro-cyclohexa-2,4-dien-1-one Formula: C21H14BrN3O4 MolecularWeight: 452.25756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)NC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)NC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H14BrN3O4/c1-12-8-13(21-24-18-4-2-3-5-19(18)29-21)6-7-17(12)23-11-14-9-15(25(27)28)10-16(22)20(14)26/h2-11,23H,1H3