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

Systemtic Name: N-[6-bromanyl-5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-3-methyl-benzamide Openeye Name: N-(6-bromo-5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)-3-methyl-benzamide CAS Name: N-(6-bromo-5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-3-methylbenzamide IUPAC Name: N-(6-bromo-5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-3-methylbenzamide Traditional Name: N-(6-bromo-1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)-3-methyl-benzamide Formula: C20H12BrN3O5 MolecularWeight: 454.23038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NN2C(=O)C3=CC=CC4=C3C(=CC(=C4Br)[N+](=O)[O-])C2=O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NN2C(=O)C3=CC=CC4=C3C(=CC(=C4Br)[N+](=O)[O-])C2=O

InChI

InChI=1S/C20H12BrN3O5/c1-10-4-2-5-11(8-10)18(25)22-23-19(26)13-7-3-6-12-16(13)14(20(23)27)9-15(17(12)21)24(28)29/h2-9H,1H3,(H,22,25)