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

Systemtic Name: 3-[6-morpholin-4-yl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propyl 3-nitrobenzoate Openeye Name: 3-(6-morpholino-1,3-dioxo-benzo[de]isoquinolin-2-yl)propyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 3-[6-(4-morpholinyl)-1,3-dioxo-2-benzo[de]isoquinolinyl]propyl ester IUPAC Name: 3-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 3-(1,3-diketo-6-morpholino-benzo[de]isoquinolin-2-yl)propyl ester Formula: C26H23N3O7 MolecularWeight: 489.47672

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCOC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCOC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N3O7/c30-24-20-7-2-6-19-22(27-11-14-35-15-12-27)9-8-21(23(19)20)25(31)28(24)10-3-13-36-26(32)17-4-1-5-18(16-17)29(33)34/h1-2,4-9,16H,3,10-15H2