6-[[[2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]amino]methylidene]-2-methoxy-4-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-methoxy-4-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-methoxy-4-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-methoxy-4-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-methoxy-4-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-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Formula: C21H14BrN3O6 MolecularWeight: 484.25636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3)C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=CNC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C21H14BrN3O6/c1-30-19-9-14(25(28)29)6-12(20(19)27)10-23-13-3-5-18-16(8-13)24-21(31-18)11-2-4-17(26)15(22)7-11/h2-10,23-24H,1H3