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

Systemtic Name: (3S)-6-ethoxy-3-methyl-9-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine Openeye Name: (3S)-6-ethoxy-3-methyl-9-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine CAS Name: (3S)-6-ethoxy-3-methyl-9-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine IUPAC Name: (3S)-6-ethoxy-3-methyl-9-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine Traditional Name: (3S)-6-ethoxy-3-methyl-9-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2CNC(CNC2=C(C=C1)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3/c1-3-18-11-5-4-10(15(16)17)12-9(11)7-13-8(2)6-14-12/h4-5,8,13-14H,3,6-7H2,1-2H3/t8-/m0/s1