5-methoxy-6,7-dinitro-2-oxidanyl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 5-methoxy-6,7-dinitro-2-oxidanyl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-hydroxy-5-methoxy-6,7-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-hydroxy-5-methoxy-6,7-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-hydroxy-5-methoxy-6,7-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-hydroxy-5-methoxy-6,7-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C13H7N3O8 MolecularWeight: 333.20998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H7N3O8/c1-24-8-4-6-9-5(12(17)14(19)13(6)18)2-3-7(15(20)21)10(9)11(8)16(22)23/h2-4,19H,1H3