[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-bromanylbenzoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(4-chloro-3-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H14BrClN2O5 MolecularWeight: 489.70326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrClN2O5/c22-15-8-6-14(7-9-15)21(27)30-19(13-4-2-1-3-5-13)20(26)24-16-10-11-17(23)18(12-16)25(28)29/h1-12,19H,(H,24,26)