tert-butyl 4-[[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)methyl]piperidine-1-carboxylate CAS Name: 4-[(6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]piperidine-1-carboxylate Traditional Name: 4-[(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

InChI

InChI=1S/C23H25N3O6/c1-23(2,3)32-22(29)24-11-9-14(10-12-24)13-25-20(27)16-6-4-5-15-18(26(30)31)8-7-17(19(15)16)21(25)28/h4-8,14H,9-13H2,1-3H3