2-[3-[4-[(E)-diazanylidenemethyl]phenyl]-3-ethynyl-1-oxidanylidene-4H-isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[3-[4-[(E)-diazanylidenemethyl]phenyl]-3-ethynyl-1-oxidanylidene-4H-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[3-ethynyl-3-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-oxo-4H-isoquinolin-2-yl]acetic acid CAS Name: 2-[3-ethynyl-3-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-oxo-4H-isoquinolin-2-yl]acetic acid IUPAC Name: 2-[3-ethynyl-3-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-oxo-4H-isoquinolin-2-yl]acetic acid Traditional Name: 2-[3-ethynyl-3-[4-[(E)-hydrazonomethyl]phenyl]-1-keto-4H-isoquinolin-2-yl]acetic acid Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CC2=CC=CC=C2C(=O)N1CC(=O)O)C3=CC=C(C=C3)C=NN

Isomeric SMILES

C#CC1(CC2=CC=CC=C2C(=O)N1CC(=O)O)C3=CC=C(C=C3)/C=N/N

InChI

InChI=1S/C20H17N3O3/c1-2-20(16-9-7-14(8-10-16)12-22-21)11-15-5-3-4-6-17(15)19(26)23(20)13-18(24)25/h1,3-10,12H,11,13,21H2,(H,24,25)/b22-12+