5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-methyl-8-nitro-2,3-dihydro-1,4-benzodiazepine

Systemtic Name: 5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-methyl-8-nitro-2,3-dihydro-1,4-benzodiazepine Openeye Name: 5-[(E)-2-(3,4-dichlorophenyl)vinyl]-1-methyl-8-nitro-2,3-dihydro-1,4-benzodiazepine CAS Name: 5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-methyl-8-nitro-2,3-dihydro-1,4-benzodiazepine IUPAC Name: 5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-methyl-8-nitro-2,3-dihydro-1,4-benzodiazepine Traditional Name: 5-[(E)-2-(3,4-dichlorophenyl)vinyl]-1-methyl-8-nitro-2,3-dihydro-1,4-benzodiazepine Formula: C18H15Cl2N3O2 MolecularWeight: 376.2366

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=C1C=C(C=C2)[N+](=O)[O-])C=CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN1CCN=C(C2=C1C=C(C=C2)[N+](=O)[O-])/C=C/C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H15Cl2N3O2/c1-22-9-8-21-17(7-3-12-2-6-15(19)16(20)10-12)14-5-4-13(23(24)25)11-18(14)22/h2-7,10-11H,8-9H2,1H3/b7-3+