1-(2,2-dimethoxypropyl)-2-(2,4-dinitrophenyl)-4-prop-2-enoxy-1H-isoquinoline

Systemtic Name: 1-(2,2-dimethoxypropyl)-2-(2,4-dinitrophenyl)-4-prop-2-enoxy-1H-isoquinoline Openeye Name: 4-allyloxy-1-(2,2-dimethoxypropyl)-2-(2,4-dinitrophenyl)-1H-isoquinoline CAS Name: 1-(2,2-dimethoxypropyl)-2-(2,4-dinitrophenyl)-4-prop-2-enoxy-1H-isoquinoline IUPAC Name: 1-(2,2-dimethoxypropyl)-2-(2,4-dinitrophenyl)-4-prop-2-enoxy-1H-isoquinoline Traditional Name: 4-allyloxy-1-(2,2-dimethoxypropyl)-2-(2,4-dinitrophenyl)-1H-isoquinoline Formula: C23H25N3O7 MolecularWeight: 455.4605

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1C2=CC=CC=C2C(=CN1C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OCC=C)(OC)OC

Isomeric SMILES

CC(CC1C2=CC=CC=C2C(=CN1C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OCC=C)(OC)OC

InChI

InChI=1S/C23H25N3O7/c1-5-12-33-22-15-24(19-11-10-16(25(27)28)13-20(19)26(29)30)21(14-23(2,31-3)32-4)17-8-6-7-9-18(17)22/h5-11,13,15,21H,1,12,14H2,2-4H3