(6E)-6-[[[2-[3,5-bis(bromanyl)phenyl]-1,3-benzoxazol-5-yl]amino]methylidene]-4-methyl-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[[[2-[3,5-bis(bromanyl)phenyl]-1,3-benzoxazol-5-yl]amino]methylidene]-4-methyl-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[[2-(3,5-dibromophenyl)-1,3-benzoxazol-5-yl]amino]methylene]-4-methyl-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[[2-(3,5-dibromophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-methyl-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[[2-(3,5-dibromophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-methyl-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[[2-(3,5-dibromophenyl)-1,3-benzoxazol-5-yl]amino]methylene]-4-methyl-2-nitro-cyclohexa-2,4-dien-1-one Formula: C21H13Br2N3O4 MolecularWeight: 531.15362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C/C(=C\NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC(=C4)Br)Br)/C(=O)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C21H13Br2N3O4/c1-11-4-13(20(27)18(5-11)26(28)29)10-24-16-2-3-19-17(9-16)25-21(30-19)12-6-14(22)8-15(23)7-12/h2-10,24H,1H3/b13-10+