(4S)-2-(4-bromophenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(4-bromophenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(4-bromophenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(4-bromophenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(4-bromophenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(4-bromophenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C18H15BrN2O3 MolecularWeight: 387.2273

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)N(C2=O)C3=CC=C(C=C3)Br)C=NCCO

Isomeric SMILES

C1=CC=C2C(=C1)[C@H](C(=O)N(C2=O)C3=CC=C(C=C3)Br)C=NCCO

InChI

InChI=1S/C18H15BrN2O3/c19-12-5-7-13(8-6-12)21-17(23)15-4-2-1-3-14(15)16(18(21)24)11-20-9-10-22/h1-8,11,16,22H,9-10H2/t16-/m1/s1