tert-butyl N-[[6-chloranyl-2-methyl-4-(3-nitrophenyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[6-chloranyl-2-methyl-4-(3-nitrophenyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-chloro-2-methyl-4-(3-nitrophenyl)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-chloro-2-methyl-4-(3-nitrophenyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-chloro-2-methyl-4-(3-nitrophenyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-chloro-1-keto-2-methyl-4-(3-nitrophenyl)-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C22H22ClN3O5 MolecularWeight: 443.88018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22ClN3O5/c1-22(2,3)31-21(28)24-12-18-19(13-6-5-7-15(10-13)26(29)30)17-11-14(23)8-9-16(17)20(27)25(18)4/h5-11H,12H2,1-4H3,(H,24,28)