(2S,3S,5S)-2-methyl-1,4-dinitroso-3,5-diphenyl-1,4-diazepane

Systemtic Name: (2S,3S,5S)-2-methyl-1,4-dinitroso-3,5-diphenyl-1,4-diazepane Openeye Name: (2S,3S,5S)-2-methyl-1,4-dinitroso-3,5-diphenyl-1,4-diazepane CAS Name: (2S,3S,5S)-2-methyl-1,4-dinitroso-3,5-diphenyl-1,4-diazepane IUPAC Name: (2S,3S,5S)-2-methyl-1,4-dinitroso-3,5-diphenyl-1,4-diazepane Traditional Name: (2S,3S,5S)-2-methyl-1,4-dinitroso-3,5-diphenyl-1,4-diazepane Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C(CCN1N=O)C2=CC=CC=C2)N=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1[C@@H](N([C@@H](CCN1N=O)C2=CC=CC=C2)N=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2/c1-14-18(16-10-6-3-7-11-16)22(20-24)17(12-13-21(14)19-23)15-8-4-2-5-9-15/h2-11,14,17-18H,12-13H2,1H3/t14-,17-,18+/m0/s1