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

Systemtic Name: 6-[[[2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]amino]methylidene]-4-methyl-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-(3-bromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]amino]methylene]-4-methyl-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-benzoxazol-5-yl]amino]methylidene]-4-methyl-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]amino]methylidene]-4-methyl-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(3-bromo-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]amino]methylene]-4-methyl-2-nitro-cyclohexa-2,4-dien-1-one Formula: C21H14BrN3O5 MolecularWeight: 468.25696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3)C(=O)C(=C1)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CNC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3)C(=O)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C21H14BrN3O5/c1-11-6-13(20(27)17(7-11)25(28)29)10-23-14-3-5-19-16(9-14)24-21(30-19)12-2-4-18(26)15(22)8-12/h2-10,23-24H,1H3