6-methoxy-1-(2-methylpropyl)-7-phenylmethoxy-2-(2,4,6-trinitrophenoxy)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6-methoxy-1-(2-methylpropyl)-7-phenylmethoxy-2-(2,4,6-trinitrophenoxy)-3,4-dihydro-1H-isoquinoline Openeye Name: 7-benzyloxy-1-isobutyl-6-methoxy-2-(2,4,6-trinitrophenoxy)-3,4-dihydro-1H-isoquinoline CAS Name: 6-methoxy-1-(2-methylpropyl)-7-phenylmethoxy-2-(2,4,6-trinitrophenoxy)-3,4-dihydro-1H-isoquinoline IUPAC Name: 6-methoxy-1-(2-methylpropyl)-7-phenylmethoxy-2-(2,4,6-trinitrophenoxy)-3,4-dihydro-1H-isoquinoline Traditional Name: 7-benzoxy-1-isobutyl-6-methoxy-2-(2,4,6-trinitrophenoxy)-3,4-dihydro-1H-isoquinoline Formula: C27H28N4O9 MolecularWeight: 552.53262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C2=CC(=C(C=C2CCN1OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1C2=CC(=C(C=C2CCN1OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O9/c1-17(2)11-22-21-15-26(39-16-18-7-5-4-6-8-18)25(38-3)12-19(21)9-10-28(22)40-27-23(30(34)35)13-20(29(32)33)14-24(27)31(36)37/h4-8,12-15,17,22H,9-11,16H2,1-3H3