2-(3-methoxypropyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(3-methoxypropyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(3-methoxypropyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(3-methoxypropyl)-5,8-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(3-methoxypropyl)-5,8-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(3-methoxypropyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C16H13N3O7 MolecularWeight: 359.29032

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC(=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COCCCN1C(=O)C2=CC(=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O7/c1-26-4-2-3-17-15(20)12-7-10(18(22)23)5-9-6-11(19(24)25)8-13(14(9)12)16(17)21/h5-8H,2-4H2,1H3