2-[2,3-bis(oxidanyl)propyl]-5-methoxy-6-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2,3-bis(oxidanyl)propyl]-5-methoxy-6-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2,3-dihydroxypropyl)-5-methoxy-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2,3-dihydroxypropyl)-5-methoxy-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2,3-dihydroxypropyl)-5-methoxy-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-glyceryl-5-methoxy-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C16H14N2O7 MolecularWeight: 346.29156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C3C(=CC=C2)C(=O)N(C(=O)C3=C1)CC(CO)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C2=C3C(=CC=C2)C(=O)N(C(=O)C3=C1)CC(CO)O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O7/c1-25-12-5-11-13-9(14(12)18(23)24)3-2-4-10(13)15(21)17(16(11)22)6-8(20)7-19/h2-5,8,19-20H,6-7H2,1H3