(3S)-3-methyl-4-(3-methylbut-2-enyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine

Systemtic Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C15H21N3O2 MolecularWeight: 275.34614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC2=C(CN1CC=C(C)C)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CNC2=C(CN1CC=C(C)C)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O2/c1-11(2)7-8-17-10-13-5-4-6-14(18(19)20)15(13)16-9-12(17)3/h4-7,12,16H,8-10H2,1-3H3/t12-/m0/s1