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

Systemtic Name: 6-[[[2-(3-bromanyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-chloranyl-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-(3-bromo-4-methyl-phenyl)-1,3-benzoxazol-5-yl]amino]methylene]-4-chloro-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-chloro-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-chloro-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(3-bromo-4-methyl-phenyl)-1,3-benzoxazol-5-yl]amino]methylene]-4-chloro-2-nitro-cyclohexa-2,4-dien-1-one Formula: C21H13BrClN3O4 MolecularWeight: 486.70262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrClN3O4/c1-11-2-3-12(7-16(11)22)21-25-17-9-15(4-5-19(17)30-21)24-10-13-6-14(23)8-18(20(13)27)26(28)29/h2-10,24H,1H3