4-bromanyl-3-[(3E)-3-(2,4-dinitrophenoxy)iminobutyl]phenol

Systemtic Name: 4-bromanyl-3-[(3E)-3-(2,4-dinitrophenoxy)iminobutyl]phenol Openeye Name: 4-bromo-3-[(3E)-3-(2,4-dinitrophenoxy)iminobutyl]phenol CAS Name: 4-bromo-3-[(3E)-3-(2,4-dinitrophenoxy)iminobutyl]phenol IUPAC Name: 4-bromo-3-[(3E)-3-(2,4-dinitrophenoxy)iminobutyl]phenol Traditional Name: 4-bromo-3-[(3E)-3-(2,4-dinitrophenyl)oximinobutyl]phenol Formula: C16H14BrN3O6 MolecularWeight: 424.20286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CCC2=C(C=CC(=C2)O)Br

Isomeric SMILES

C/C(=N\OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/CCC2=C(C=CC(=C2)O)Br

InChI

InChI=1S/C16H14BrN3O6/c1-10(2-3-11-8-13(21)5-6-14(11)17)18-26-16-7-4-12(19(22)23)9-15(16)20(24)25/h4-9,21H,2-3H2,1H3/b18-10+