(2S,5S)-2,5-dimethyl-9-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

Systemtic Name: (2S,5S)-2,5-dimethyl-9-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine Openeye Name: (2S,5S)-2,5-dimethyl-9-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine CAS Name: (2S,5S)-2,5-dimethyl-9-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine IUPAC Name: (2S,5S)-2,5-dimethyl-9-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine Traditional Name: (2S,5S)-2,5-dimethyl-9-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine Formula: C11H15N3O2 MolecularWeight: 221.2557

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(C2=C(N1)C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CN[C@H](C2=C(N1)C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C11H15N3O2/c1-7-6-12-8(2)9-4-3-5-10(14(15)16)11(9)13-7/h3-5,7-8,12-13H,6H2,1-2H3/t7-,8-/m0/s1