6-[[[2-(3-bromanyl-4-methoxy-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-methoxy-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-methoxy-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-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-chloro-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-chloro-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]amino]methylene]-4-chloro-2-nitro-cyclohexa-2,4-dien-1-one Formula: C21H13BrClN3O5 MolecularWeight: 502.70202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C21H13BrClN3O5/c1-30-18-4-2-11(7-15(18)22)21-25-16-9-14(3-5-19(16)31-21)24-10-12-6-13(23)8-17(20(12)27)26(28)29/h2-10,24H,1H3