[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-bromanyl-4-chloranyl-phenoxy)ethanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-bromanyl-4-chloranyl-phenoxy)ethanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-(2-bromo-4-chloro-phenoxy)acetate CAS Name: 2-(2-bromo-4-chlorophenoxy)acetic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate Traditional Name: 2-(2-bromo-4-chloro-phenoxy)acetic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C17H14BrClN2O6 MolecularWeight: 457.65986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)COC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)COC2=C(C=C(C=C2)Cl)Br

InChI

InChI=1S/C17H14BrClN2O6/c1-10(17(23)20-12-3-2-4-13(8-12)21(24)25)27-16(22)9-26-15-6-5-11(19)7-14(15)18/h2-8,10H,9H2,1H3,(H,20,23)