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

Systemtic Name: 2-bromanyl-6-[[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 2-bromo-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 2-bromo-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)anilino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 2-bromo-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)anilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 2-bromo-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C21H14BrN3O4 MolecularWeight: 452.25756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)C3=CC(=CC=C3)NC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)C3=CC(=CC=C3)NC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H14BrN3O4/c1-12-4-2-7-18-19(12)24-21(29-18)13-5-3-6-15(8-13)23-11-14-9-16(25(27)28)10-17(22)20(14)26/h2-11,23H,1H3