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

Systemtic Name: 6-[[[4-(1,3-benzoxazol-2-yl)phenyl]amino]methylidene]-2-bromanyl-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(1,3-benzoxazol-2-yl)anilino]methylene]-2-bromo-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[4-(1,3-benzoxazol-2-yl)anilino]methylidene]-2-bromo-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-(1,3-benzoxazol-2-yl)anilino]methylidene]-2-bromo-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(1,3-benzoxazol-2-yl)anilino]methylene]-2-bromo-4-nitro-cyclohexa-2,4-dien-1-one Formula: C20H12BrN3O4 MolecularWeight: 438.23098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H12BrN3O4/c21-16-10-15(24(26)27)9-13(19(16)25)11-22-14-7-5-12(6-8-14)20-23-17-3-1-2-4-18(17)28-20/h1-11,22H