3-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-2-oxidanylidene-propanamide

Systemtic Name: 3-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-2-oxidanylidene-propanamide Openeye Name: 3-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-[(Z)-(4-nitrophenyl)methyleneamino]-2-oxo-propanamide CAS Name: 3-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-2-oxopropanamide IUPAC Name: 3-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-2-oxopropanamide Traditional Name: 3-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-keto-N-[(Z)-(4-nitrobenzylidene)amino]propionamide Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)CC(=O)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)CC(=O)C(=O)N/N=C\C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H20N4O4/c1-21(2)12-15-5-3-4-6-17(15)18(23-21)11-19(26)20(27)24-22-13-14-7-9-16(10-8-14)25(28)29/h3-10,13H,11-12H2,1-2H3,(H,24,27)/b22-13-