5-nitro-1-[[(1R,4S)-3-nitro-3-bicyclo[2.2.1]heptanyl]methyl]isoquinoline

Systemtic Name: 5-nitro-1-[[(1R,4S)-3-nitro-3-bicyclo[2.2.1]heptanyl]methyl]isoquinoline Openeye Name: 5-nitro-1-[[(1S,4R)-2-nitronorbornan-2-yl]methyl]isoquinoline CAS Name: 5-nitro-1-[[(1R,4S)-3-nitro-3-bicyclo[2.2.1]heptanyl]methyl]isoquinoline IUPAC Name: 5-nitro-1-[[(1R,4S)-3-nitro-3-bicyclo[2.2.1]heptanyl]methyl]isoquinoline Traditional Name: 5-nitro-1-[[(1S,4R)-2-nitronorbornan-2-yl]methyl]isoquinoline Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1CC2(CC3=NC=CC4=C3C=CC=C4[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C[C@H]2C[C@@H]1CC2(CC3=NC=CC4=C3C=CC=C4[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4/c21-19(22)16-3-1-2-13-14(16)6-7-18-15(13)10-17(20(23)24)9-11-4-5-12(17)8-11/h1-3,6-7,11-12H,4-5,8-10H2/t11-,12+,17?/m1/s1