N-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]adamantane-1-carboxamide Openeye Name: N-(6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)adamantane-1-carboxamide CAS Name: N-(6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-1-adamantanecarboxamide IUPAC Name: N-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)adamantane-1-carboxamide Traditional Name: N-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)adamantane-1-carboxamide Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NN4C(=O)C5=C6C(=C(C=C5)[N+](=O)[O-])C=CC=C6C4=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NN4C(=O)C5=C6C(=C(C=C5)[N+](=O)[O-])C=CC=C6C4=O

InChI

InChI=1S/C23H21N3O5/c27-20-16-3-1-2-15-18(26(30)31)5-4-17(19(15)16)21(28)25(20)24-22(29)23-9-12-6-13(10-23)8-14(7-12)11-23/h1-5,12-14H,6-11H2,(H,24,29)