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

Systemtic Name: methyl 2-azanyl-4-(4-chlorophenyl)-8-oxidanylidene-4,5,6,7-tetrahydrochromene-3-carboxylate Openeye Name: methyl 2-amino-4-(4-chlorophenyl)-8-oxo-4,5,6,7-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-(4-chlorophenyl)-8-oxo-4,5,6,7-tetrahydro-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-(4-chlorophenyl)-8-oxo-4,5,6,7-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-(4-chlorophenyl)-8-keto-4,5,6,7-tetrahydrochromene-3-carboxylic acid methyl ester Formula: C17H16ClNO4 MolecularWeight: 333.76624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)Cl)CCCC2=O)N

Isomeric SMILES

COC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)Cl)CCCC2=O)N

InChI

InChI=1S/C17H16ClNO4/c1-22-17(21)14-13(9-5-7-10(18)8-6-9)11-3-2-4-12(20)15(11)23-16(14)19/h5-8,13H,2-4,19H2,1H3