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

Systemtic Name: 6-[[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C21H14BrN3O5 MolecularWeight: 468.25696

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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=CC4=O)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-])Br

InChI

InChI=1S/C21H14BrN3O5/c1-29-19-6-2-12(9-16(19)22)21-24-17-10-14(3-7-20(17)30-21)23-11-13-8-15(25(27)28)4-5-18(13)26/h2-11,23H,1H3