1-(2-chloranyl-5-nitro-phenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 7-benzyloxy-1-(2-chloro-5-nitro-phenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-(2-chloro-5-nitrophenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-(2-chloro-5-nitrophenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 7-benzoxy-1-(2-chloro-5-nitro-phenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline Formula: C23H21ClN2O4 MolecularWeight: 424.87684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C2C(NCCC2=C1)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C23H21ClN2O4/c1-29-21-11-16-9-10-25-23(19-12-17(26(27)28)7-8-20(19)24)18(16)13-22(21)30-14-15-5-3-2-4-6-15/h2-8,11-13,23,25H,9-10,14H2,1H3