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

Systemtic Name: 6-chloranyl-4-[(Z)-2-ethylbut-2-enyl]-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: 6-chloro-4-[(Z)-2-ethylbut-2-enyl]-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: 6-chloro-4-[(Z)-2-ethylbut-2-enyl]-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: 6-chloro-4-[(Z)-2-ethylbut-2-enyl]-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: 6-chloro-4-[(Z)-2-ethylbut-2-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(=CC)CN1CC2=C(C=CC(=C2NCC1C)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O2/c1-4-12(5-2)9-19-10-13-14(17)6-7-15(20(21)22)16(13)18-8-11(19)3/h4,6-7,11,18H,5,8-10H2,1-3H3/b12-4-