ethyl 4-[(5-bromanylpyridin-2-yl)amino]-2-(3-methoxyphenyl)-6-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 4-[(5-bromanylpyridin-2-yl)amino]-2-(3-methoxyphenyl)-6-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-[(5-bromo-2-pyridyl)amino]-2-(3-methoxyphenyl)-6-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-[(5-bromo-2-pyridinyl)amino]-2-(3-methoxyphenyl)-6-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromopyridin-2-yl)amino]-2-(3-methoxyphenyl)-6-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-[(5-bromo-2-pyridyl)amino]-6-keto-2-(3-methoxyphenyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C=C(CC1=O)NC2=NC=C(C=C2)Br)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1C(C=C(CC1=O)NC2=NC=C(C=C2)Br)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H21BrN2O4/c1-3-28-21(26)20-17(13-5-4-6-16(9-13)27-2)10-15(11-18(20)25)24-19-8-7-14(22)12-23-19/h4-10,12,17,20H,3,11H2,1-2H3,(H,23,24)