3-[bis(oxidanyl)methylidene]-6-chloranyl-2-(phenylmethyl)isoquinoline-1,4-dione

Systemtic Name: 3-[bis(oxidanyl)methylidene]-6-chloranyl-2-(phenylmethyl)isoquinoline-1,4-dione Openeye Name: 2-benzyl-6-chloro-3-(dihydroxymethylene)isoquinoline-1,4-dione CAS Name: 6-chloro-3-(dihydroxymethylidene)-2-(phenylmethyl)isoquinoline-1,4-dione IUPAC Name: 2-benzyl-6-chloro-3-(dihydroxymethylidene)isoquinoline-1,4-dione Traditional Name: 2-benzyl-6-chloro-3-(dihydroxymethylene)isoquinoline-1,4-quinone Formula: C17H12ClNO4 MolecularWeight: 329.73448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(O)O)C(=O)C3=C(C2=O)C=CC(=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(O)O)C(=O)C3=C(C2=O)C=CC(=C3)Cl

InChI

InChI=1S/C17H12ClNO4/c18-11-6-7-12-13(8-11)15(20)14(17(22)23)19(16(12)21)9-10-4-2-1-3-5-10/h1-8,22-23H,9H2