1-methyl-5-[(E)-2-(5-nitro-2-phenoxy-phenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride

Systemtic Name: 1-methyl-5-[(E)-2-(5-nitro-2-phenoxy-phenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride Openeye Name: 1-methyl-5-[(E)-2-(5-nitro-2-phenoxy-phenyl)vinyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride CAS Name: 1-methyl-5-[(E)-2-(5-nitro-2-phenoxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride IUPAC Name: 1-methyl-5-[(E)-2-(5-nitro-2-phenoxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride Traditional Name: 1-methyl-5-[(E)-2-(5-nitro-2-phenoxy-phenyl)vinyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride Formula: C24H23Cl2N3O3 MolecularWeight: 472.36372

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=CC=CC=C21)C=CC3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CN1CCN=C(C2=CC=CC=C21)/C=C/C3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C24H21N3O3.2ClH/c1-26-16-15-25-22(21-9-5-6-10-23(21)26)13-11-18-17-19(27(28)29)12-14-24(18)30-20-7-3-2-4-8-20;;/h2-14,17H,15-16H2,1H3;2*1H/b13-11+;;