2-acetamido-6-chloranyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-acetamido-6-chloranyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-acetamido-6-chloro-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-acetamido-6-chloro-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-acetamido-6-chloro-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-acetamido-6-chloro-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C18H13ClN2O4 MolecularWeight: 356.75982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)NN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H13ClN2O4/c1-10(22)20-21-16(18(24)25)15(11-5-3-2-4-6-11)14-9-12(19)7-8-13(14)17(21)23/h2-9H,1H3,(H,20,22)(H,24,25)