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

Systemtic Name: methyl 8-nitro-7-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: methyl 7-hydroxy-8-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: 7-hydroxy-8-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 7-hydroxy-8-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: 7-hydroxy-8-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CN1)C(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CC2=C(CN1)C(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O5/c1-18-11(15)8-4-6-2-3-9(14)10(13(16)17)7(6)5-12-8/h2-3,8,12,14H,4-5H2,1H3