N-[6-bromanyl-5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-2-methyl-propanamide

Systemtic Name: N-[6-bromanyl-5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-2-methyl-propanamide Openeye Name: N-(6-bromo-5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)-2-methyl-propanamide CAS Name: N-(6-bromo-5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-2-methylpropanamide IUPAC Name: N-(6-bromo-5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-2-methylpropanamide Traditional Name: N-(6-bromo-1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)-2-methyl-propionamide Formula: C16H12BrN3O5 MolecularWeight: 406.18758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NN1C(=O)C2=CC=CC3=C2C(=CC(=C3Br)[N+](=O)[O-])C1=O

Isomeric SMILES

CC(C)C(=O)NN1C(=O)C2=CC=CC3=C2C(=CC(=C3Br)[N+](=O)[O-])C1=O

InChI

InChI=1S/C16H12BrN3O5/c1-7(2)14(21)18-19-15(22)9-5-3-4-8-12(9)10(16(19)23)6-11(13(8)17)20(24)25/h3-7H,1-2H3,(H,18,21)