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

Systemtic Name: methyl 2-azanyl-4-(4-bromophenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: methyl 2-amino-4-(4-bromophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-(4-bromophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-(4-bromophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-(4-bromophenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid methyl ester Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO4/c1-22-17(21)15-13(9-5-7-10(18)8-6-9)14-11(20)3-2-4-12(14)23-16(15)19/h5-8,13H,2-4,19H2,1H3