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

Systemtic Name: 1-methyl-5-[(E)-2-(2-naphthalen-2-yloxy-5-nitro-phenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride Openeye Name: 1-methyl-5-[(E)-2-[2-(2-naphthyloxy)-5-nitro-phenyl]vinyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride CAS Name: 1-methyl-5-[(E)-2-[2-(2-naphthalenyloxy)-5-nitrophenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride IUPAC Name: 1-methyl-5-[(E)-2-(2-naphthalen-2-yloxy-5-nitrophenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride Traditional Name: 1-methyl-5-[(E)-2-[2-(2-naphthoxy)-5-nitro-phenyl]vinyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride Formula: C28H25Cl2N3O3 MolecularWeight: 522.4224

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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=CC5=CC=CC=C5C=C4.Cl.Cl

Isomeric SMILES

CN1CCN=C(C2=CC=CC=C21)/C=C/C3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC5=CC=CC=C5C=C4.Cl.Cl

InChI

InChI=1S/C28H23N3O3.2ClH/c1-30-17-16-29-26(25-8-4-5-9-27(25)30)14-11-22-18-23(31(32)33)12-15-28(22)34-24-13-10-20-6-2-3-7-21(20)19-24;;/h2-15,18-19H,16-17H2,1H3;2*1H/b14-11+;;