2-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]ethyl 2,4-dinitrobenzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]ethyl 2,4-dinitrobenzoate Openeye Name: 2-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]ethyl 2,4-dinitrobenzoate CAS Name: 2,4-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 2,4-dinitrobenzoate Traditional Name: 2,4-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=C(C=C(C=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=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

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