[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C20H13BrClN3O5 MolecularWeight: 490.69132

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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-])Cl)OC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrClN3O5/c21-14-8-13(10-23-11-14)20(27)30-18(12-4-2-1-3-5-12)19(26)24-17-7-6-15(25(28)29)9-16(17)22/h1-11,18H,(H,24,26)