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

Systemtic Name: N-[2-[6-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]-3-nitro-N-phenyl-benzamide Openeye Name: N-[2-(6-bromo-1,3-dioxo-benzo[de]isoquinolin-2-yl)ethyl]-3-nitro-N-phenyl-benzamide CAS Name: N-[2-(6-bromo-1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl]-3-nitro-N-phenylbenzamide IUPAC Name: N-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-3-nitro-N-phenylbenzamide Traditional Name: N-[2-(6-bromo-1,3-diketo-benzo[de]isoquinolin-2-yl)ethyl]-3-nitro-N-phenyl-benzamide Formula: C27H18BrN3O5 MolecularWeight: 544.35292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCN2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CCN2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H18BrN3O5/c28-23-13-12-22-24-20(23)10-5-11-21(24)26(33)30(27(22)34)15-14-29(18-7-2-1-3-8-18)25(32)17-6-4-9-19(16-17)31(35)36/h1-13,16H,14-15H2