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

Systemtic Name: ethyl 2-azanyl-4-(3-bromophenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl 2-amino-4-(3-bromophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-(3-bromophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(3-bromophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-(3-bromophenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)Br)C(=O)CCC2)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)Br)C(=O)CCC2)N

InChI

InChI=1S/C18H18BrNO4/c1-2-23-18(22)16-14(10-5-3-6-11(19)9-10)15-12(21)7-4-8-13(15)24-17(16)20/h3,5-6,9,14H,2,4,7-8,20H2,1H3