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

Systemtic Name: 1-methyl-5-[(E)-2-(5-nitro-2-pyridin-3-yloxy-phenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine Openeye Name: 1-methyl-5-[(E)-2-[5-nitro-2-(3-pyridyloxy)phenyl]vinyl]-2,3-dihydro-1,4-benzodiazepine CAS Name: 1-methyl-5-[(E)-2-[5-nitro-2-(3-pyridinyloxy)phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine IUPAC Name: 1-methyl-5-[(E)-2-(5-nitro-2-pyridin-3-yloxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine Traditional Name: 1-methyl-5-[(E)-2-[5-nitro-2-(3-pyridyloxy)phenyl]vinyl]-2,3-dihydro-1,4-benzodiazepine Formula: C23H20N4O3 MolecularWeight: 400.4299

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O3/c1-26-14-13-25-21(20-6-2-3-7-22(20)26)10-8-17-15-18(27(28)29)9-11-23(17)30-19-5-4-12-24-16-19/h2-12,15-16H,13-14H2,1H3/b10-8+