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

Systemtic Name: 4-[[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]amino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]amino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C21H15BrN2O4 MolecularWeight: 439.2588

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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=CC(=O)C=C4O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC=C4C=CC(=O)C=C4O)Br

InChI

InChI=1S/C21H15BrN2O4/c1-27-19-6-3-12(8-16(19)22)21-24-17-9-14(4-7-20(17)28-21)23-11-13-2-5-15(25)10-18(13)26/h2-11,23,26H,1H3