3-bromanyl-N-[(E)-[4-(2,4-dinitrophenoxy)-3-ethoxy-phenyl]methylideneamino]benzamide

Systemtic Name: 3-bromanyl-N-[(E)-[4-(2,4-dinitrophenoxy)-3-ethoxy-phenyl]methylideneamino]benzamide Openeye Name: 3-bromo-N-[(E)-[4-(2,4-dinitrophenoxy)-3-ethoxy-phenyl]methyleneamino]benzamide CAS Name: 3-bromo-N-[(E)-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylideneamino]benzamide IUPAC Name: 3-bromo-N-[(E)-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylideneamino]benzamide Traditional Name: 3-bromo-N-[(E)-[4-(2,4-dinitrophenoxy)-3-ethoxy-benzylidene]amino]benzamide Formula: C22H17BrN4O7 MolecularWeight: 529.29698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)Br)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)Br)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H17BrN4O7/c1-2-33-21-10-14(13-24-25-22(28)15-4-3-5-16(23)11-15)6-8-20(21)34-19-9-7-17(26(29)30)12-18(19)27(31)32/h3-13H,2H2,1H3,(H,25,28)/b24-13+