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

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O6/c31-25-20-10-6-9-18-22(28-14-4-1-5-15-28)13-12-21(24(18)20)26(32)29(25)16-7-17-36-27(33)19-8-2-3-11-23(19)30(34)35/h2-3,6,8-13H,1,4-5,7,14-17H2