[(Z)-[azanyl-(3-nitrophenyl)methylidene]amino] 2-(2-bromanyl-4-ethyl-phenoxy)ethanoate

Systemtic Name: [(Z)-[azanyl-(3-nitrophenyl)methylidene]amino] 2-(2-bromanyl-4-ethyl-phenoxy)ethanoate Openeye Name: [(Z)-[amino-(3-nitrophenyl)methylene]amino] 2-(2-bromo-4-ethyl-phenoxy)acetate CAS Name: 2-(2-bromo-4-ethylphenoxy)acetic acid [(Z)-[amino-(3-nitrophenyl)methylidene]amino] ester IUPAC Name: [(Z)-[amino-(3-nitrophenyl)methylidene]amino] 2-(2-bromo-4-ethylphenoxy)acetate Traditional Name: 2-(2-bromo-4-ethyl-phenoxy)acetic acid [(Z)-[amino-(3-nitrophenyl)methylene]amino] ester Formula: C17H16BrN3O5 MolecularWeight: 422.23004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)ON=C(C2=CC(=CC=C2)[N+](=O)[O-])N)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)O/N=C(/C2=CC(=CC=C2)[N+](=O)[O-])\N)Br

InChI

InChI=1S/C17H16BrN3O5/c1-2-11-6-7-15(14(18)8-11)25-10-16(22)26-20-17(19)12-4-3-5-13(9-12)21(23)24/h3-9H,2,10H2,1H3,(H2,19,20)