(2Z)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-[(4-ethanoylphenyl)hydrazinylidene]ethanoic acid

Systemtic Name: (2Z)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-[(4-ethanoylphenyl)hydrazinylidene]ethanoic acid Openeye Name: (2Z)-2-[(4-acetylphenyl)hydrazono]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetic acid CAS Name: (2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetic acid IUPAC Name: (2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetic acid Traditional Name: (2Z)-2-[(4-acetylphenyl)hydrazono]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NN=C(C2=NC(CC3=CC=CC=C32)(C)C)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N/N=C(/C2=NC(CC3=CC=CC=C32)(C)C)\C(=O)O

InChI

InChI=1S/C21H21N3O3/c1-13(25)14-8-10-16(11-9-14)23-24-19(20(26)27)18-17-7-5-4-6-15(17)12-21(2,3)22-18/h4-11,23H,12H2,1-3H3,(H,26,27)/b24-19-