2-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]ethyl 3,5-dinitrobenzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]ethyl 3,5-dinitrobenzoate Openeye Name: 2-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]ethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-[1,3-dioxo-6-(1-piperidinyl)-2-benzo[de]isoquinolinyl]ethyl ester IUPAC Name: 2-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)ethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)ethyl ester Formula: C26H22N4O8 MolecularWeight: 518.47488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O8/c31-24-20-6-4-5-19-22(27-9-2-1-3-10-27)8-7-21(23(19)20)25(32)28(24)11-12-38-26(33)16-13-17(29(34)35)15-18(14-16)30(36)37/h4-8,13-15H,1-3,9-12H2