methyl 2-azanyl-4-[5-bromanyl-2-[(2-cyanophenyl)methoxy]phenyl]-7-oxidanyl-4H-chromene-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-[5-bromanyl-2-[(2-cyanophenyl)methoxy]phenyl]-7-oxidanyl-4H-chromene-3-carboxylate Openeye Name: methyl 2-amino-4-[5-bromo-2-[(2-cyanophenyl)methoxy]phenyl]-7-hydroxy-4H-chromene-3-carboxylate CAS Name: 2-amino-4-[5-bromo-2-[(2-cyanophenyl)methoxy]phenyl]-7-hydroxy-4H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-[5-bromo-2-[(2-cyanophenyl)methoxy]phenyl]-7-hydroxy-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[5-bromo-2-(2-cyanobenzyl)oxy-phenyl]-7-hydroxy-4H-chromene-3-carboxylic acid methyl ester Formula: C25H19BrN2O5 MolecularWeight: 507.33276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4C#N)C=CC(=C2)O)N

Isomeric SMILES

COC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4C#N)C=CC(=C2)O)N

InChI

InChI=1S/C25H19BrN2O5/c1-31-25(30)23-22(18-8-7-17(29)11-21(18)33-24(23)28)19-10-16(26)6-9-20(19)32-13-15-5-3-2-4-14(15)12-27/h2-11,22,29H,13,28H2,1H3