[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)ethanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H12BrN3O6 MolecularWeight: 434.19768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Br

Isomeric SMILES

C1=CC(=CC=C1OCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Br

InChI

InChI=1S/C17H12BrN3O6/c18-12-1-4-14(5-2-12)26-10-17(23)27-9-16(22)20-15-6-3-13(21(24)25)7-11(15)8-19/h1-7H,9-10H2,(H,20,22)