[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C18H19BrN2O3 MolecularWeight: 391.25906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C18H19BrN2O3/c1-2-3-4-13-5-7-16(8-6-13)21-17(22)12-24-18(23)14-9-15(19)11-20-10-14/h5-11H,2-4,12H2,1H3,(H,21,22)