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

Systemtic Name: 2-bromanyl-6-[[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 2-bromo-6-[[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 2-bromo-6-[[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 2-bromo-6-[[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 2-bromo-6-[[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C22H16BrN3O4 MolecularWeight: 466.28414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-])C

InChI

InChI=1S/C22H16BrN3O4/c1-12-5-13(2)7-14(6-12)22-25-19-9-16(3-4-20(19)30-22)24-11-15-8-17(26(28)29)10-18(23)21(15)27/h3-11,24H,1-2H3