6-chloranyl-4-[(E)-hex-3-enyl]-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine

Systemtic Name: 6-chloranyl-4-[(E)-hex-3-enyl]-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: 6-chloro-4-[(E)-hex-3-enyl]-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: 6-chloro-4-[(E)-hex-3-enyl]-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: 6-chloro-4-[(E)-hex-3-enyl]-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: 6-chloro-4-[(E)-hex-3-enyl]-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C16H22ClN3O2 MolecularWeight: 323.81778

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCN1CC2=C(C=CC(=C2NCC1C)[N+](=O)[O-])Cl

Isomeric SMILES

CC/C=C/CCN1CC2=C(C=CC(=C2NCC1C)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H22ClN3O2/c1-3-4-5-6-9-19-11-13-14(17)7-8-15(20(21)22)16(13)18-10-12(19)2/h4-5,7-8,12,18H,3,6,9-11H2,1-2H3/b5-4+