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

Systemtic Name: 6-[[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-3,5-dinitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]amino]methylene]-3,5-dinitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-3,5-dinitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-3,5-dinitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]amino]methylene]-3,5-dinitro-cyclohexa-2,4-dien-1-one Formula: C21H13BrN4O7 MolecularWeight: 513.25452

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrN4O7/c1-32-19-4-2-11(6-15(19)22)21-24-16-7-12(3-5-20(16)33-21)23-10-14-17(26(30)31)8-13(25(28)29)9-18(14)27/h2-10,23H,1H3