6-[[[2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]amino]methylidene]-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]-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]-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]-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]-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]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C20H12BrN3O5 MolecularWeight: 454.23038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12BrN3O5/c21-14-8-11(4-6-17(14)25)20-23-15-9-13(5-7-18(15)29-20)22-10-12-2-1-3-16(19(12)26)24(27)28/h1-10,22-23H