methyl 2-azanyl-4-(3-bromophenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-(3-bromophenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: methyl 2-amino-4-(3-bromophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-(3-bromophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-(3-bromophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-(3-bromophenyl)-5-keto-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylic acid methyl ester Formula: C23H20BrNO4 MolecularWeight: 454.3132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)Br)C(=O)CC(C2)C4=CC=CC=C4)N

Isomeric SMILES

COC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)Br)C(=O)CC(C2)C4=CC=CC=C4)N

InChI

InChI=1S/C23H20BrNO4/c1-28-23(27)21-19(14-8-5-9-16(24)10-14)20-17(26)11-15(12-18(20)29-22(21)25)13-6-3-2-4-7-13/h2-10,15,19H,11-12,25H2,1H3