(3R,5S)-7-chloranyl-3,5-dimethyl-9-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

Systemtic Name: (3R,5S)-7-chloranyl-3,5-dimethyl-9-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine Openeye Name: (3R,5S)-7-chloro-3,5-dimethyl-9-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine CAS Name: (3R,5S)-7-chloro-3,5-dimethyl-9-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine IUPAC Name: (3R,5S)-7-chloro-3,5-dimethyl-9-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine Traditional Name: (3R,5S)-7-chloro-3,5-dimethyl-9-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine Formula: C11H14ClN3O2 MolecularWeight: 255.70076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC2=C(C=C(C=C2C(N1)C)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CNC2=C(C=C(C=C2[C@@H](N1)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H14ClN3O2/c1-6-5-13-11-9(7(2)14-6)3-8(12)4-10(11)15(16)17/h3-4,6-7,13-14H,5H2,1-2H3/t6-,7+/m1/s1