[(1R)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [(1R)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [(1R)-2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [(1R)-2-(2-bromo-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-])Br)OC(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrClN3O5/c21-15-10-14(25(28)29)7-8-16(15)24-19(26)18(12-4-2-1-3-5-12)30-20(27)13-6-9-17(22)23-11-13/h1-11,18H,(H,24,26)/t18-/m1/s1