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

Systemtic Name: 3-bromanyl-N-[(E)-[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]methylideneamino]benzamide Openeye Name: 3-bromo-N-[(E)-[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]methyleneamino]benzamide CAS Name: 3-bromo-N-[(E)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]benzamide IUPAC Name: 3-bromo-N-[(E)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]benzamide Traditional Name: 3-bromo-N-[(E)-[4-(2,4-dinitrophenoxy)-3-methoxy-benzylidene]amino]benzamide Formula: C21H15BrN4O7 MolecularWeight: 515.2704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C21H15BrN4O7/c1-32-20-9-13(12-23-24-21(27)14-3-2-4-15(22)10-14)5-7-19(20)33-18-8-6-16(25(28)29)11-17(18)26(30)31/h2-12H,1H3,(H,24,27)/b23-12+