methyl 6,8-dinitro-7-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: methyl 6,8-dinitro-7-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: methyl 7-hydroxy-6,8-dinitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: 7-hydroxy-6,8-dinitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 7-hydroxy-6,8-dinitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: 7-hydroxy-6,8-dinitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester Formula: C11H11N3O7 MolecularWeight: 297.22094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC(=C(C(=C2CN1)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CC2=CC(=C(C(=C2CN1)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O7/c1-21-11(16)7-2-5-3-8(13(17)18)10(15)9(14(19)20)6(5)4-12-7/h3,7,12,15H,2,4H2,1H3