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

Systemtic Name: 6-chloranyl-3-methyl-9-nitro-4-[(E)-pent-2-enyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: 6-chloro-3-methyl-9-nitro-4-[(E)-pent-2-enyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: 6-chloro-3-methyl-9-nitro-4-[(E)-pent-2-enyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: 6-chloro-3-methyl-9-nitro-4-[(E)-pent-2-enyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: 6-chloro-3-methyl-9-nitro-4-[(E)-pent-2-enyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C15H20ClN3O2 MolecularWeight: 309.7912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC/C=C/CN1CC2=C(C=CC(=C2NCC1C)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H20ClN3O2/c1-3-4-5-8-18-10-12-13(16)6-7-14(19(20)21)15(12)17-9-11(18)2/h4-7,11,17H,3,8-10H2,1-2H3/b5-4+