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

Systemtic Name: 4-[(E)-but-2-enyl]-6-chloranyl-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: 4-[(E)-but-2-enyl]-6-chloro-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: 4-[(E)-but-2-enyl]-6-chloro-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: 4-[(E)-but-2-enyl]-6-chloro-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: 4-[(E)-but-2-enyl]-6-chloro-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C14H18ClN3O2 MolecularWeight: 295.76462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O2/c1-3-4-7-17-9-11-12(15)5-6-13(18(19)20)14(11)16-8-10(17)2/h3-6,10,16H,7-9H2,1-2H3/b4-3+