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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]propyl 4-nitrobenzoate Openeye Name: 3-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]propyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 3-[1,3-dioxo-6-(1-piperidinyl)-2-benzo[de]isoquinolinyl]propyl ester IUPAC Name: 3-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)propyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 3-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)propyl ester Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O6/c31-25-21-7-4-6-20-23(28-14-2-1-3-15-28)13-12-22(24(20)21)26(32)29(25)16-5-17-36-27(33)18-8-10-19(11-9-18)30(34)35/h4,6-13H,1-3,5,14-17H2