[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-phenoxypropanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-phenoxypropanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-phenoxypropanoate CAS Name: 3-phenoxypropanoic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 3-phenoxypropanoate Traditional Name: 3-phenoxypropionic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C23H19BrN2O6 MolecularWeight: 499.31076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H19BrN2O6/c24-19-15-17(26(29)30)11-12-20(19)25-23(28)22(16-7-3-1-4-8-16)32-21(27)13-14-31-18-9-5-2-6-10-18/h1-12,15,22H,13-14H2,(H,25,28)