(1S)-2-(2,4-dinitrophenyl)-1-ethoxy-1H-isoquinoline

Systemtic Name: (1S)-2-(2,4-dinitrophenyl)-1-ethoxy-1H-isoquinoline Openeye Name: (1S)-2-(2,4-dinitrophenyl)-1-ethoxy-1H-isoquinoline CAS Name: (1S)-2-(2,4-dinitrophenyl)-1-ethoxy-1H-isoquinoline IUPAC Name: (1S)-2-(2,4-dinitrophenyl)-1-ethoxy-1H-isoquinoline Traditional Name: (1S)-2-(2,4-dinitrophenyl)-1-ethoxy-1H-isoquinoline Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C2=CC=CC=C2C=CN1C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCO[C@H]1C2=CC=CC=C2C=CN1C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5/c1-2-25-17-14-6-4-3-5-12(14)9-10-18(17)15-8-7-13(19(21)22)11-16(15)20(23)24/h3-11,17H,2H2,1H3/t17-/m0/s1