(3S)-6-ethoxy-3-methyl-4-(3-methylbut-2-enyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine

Systemtic Name: (3S)-6-ethoxy-3-methyl-4-(3-methylbut-2-enyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: (3S)-6-ethoxy-3-methyl-4-(3-methylbut-2-enyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: (3S)-6-ethoxy-3-methyl-4-(3-methylbut-2-enyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: (3S)-6-ethoxy-3-methyl-4-(3-methylbut-2-enyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: (3S)-6-ethoxy-3-methyl-4-(3-methylbut-2-enyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2CN(C(CNC2=C(C=C1)[N+](=O)[O-])C)CC=C(C)C

Isomeric SMILES

CCOC1=C2CN([C@H](CNC2=C(C=C1)[N+](=O)[O-])C)CC=C(C)C

InChI

InChI=1S/C17H25N3O3/c1-5-23-16-7-6-15(20(21)22)17-14(16)11-19(9-8-12(2)3)13(4)10-18-17/h6-8,13,18H,5,9-11H2,1-4H3/t13-/m0/s1