(6S)-6-(4-chlorophenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: (6S)-6-(4-chlorophenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: (6S)-6-(4-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6S)-6-(4-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate IUPAC Name: (6S)-6-(4-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6S)-6-(4-chlorophenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylate Formula: C16H13ClNO3- MolecularWeight: 302.73232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(NC2=C1C(=O)C[C@H](C2)C3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C16H14ClNO3/c1-8-14-12(18-15(8)16(20)21)6-10(7-13(14)19)9-2-4-11(17)5-3-9/h2-5,10,18H,6-7H2,1H3,(H,20,21)/p-1/t10-/m0/s1