ethyl 2-azanyl-4-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl 2-amino-4-(3-bromo-5-ethoxy-4-methoxy-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-(3-bromo-5-ethoxy-4-methoxy-phenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C21H24BrNO6 MolecularWeight: 466.32236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)OC(=C2C(=O)OCC)N)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)OC(=C2C(=O)OCC)N)Br)OC

InChI

InChI=1S/C21H24BrNO6/c1-4-27-15-10-11(9-12(22)19(15)26-3)16-17-13(24)7-6-8-14(17)29-20(23)18(16)21(25)28-5-2/h9-10,16H,4-8,23H2,1-3H3