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

Systemtic Name: 4-bromanyl-6-[[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C22H16BrN3O5 MolecularWeight: 482.28354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Br)N2

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Br)N2

InChI

InChI=1S/C22H16BrN3O5/c1-2-12-3-6-20-17(7-12)25-22(31-20)16-10-15(4-5-19(16)27)24-11-13-8-14(23)9-18(21(13)28)26(29)30/h3-11,24-25H,2H2,1H3