5-(2-chlorophenyl)-3-ethenyl-7-nitro-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine

Systemtic Name: 5-(2-chlorophenyl)-3-ethenyl-7-nitro-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine Openeye Name: 5-(2-chlorophenyl)-7-nitro-3-vinyl-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine CAS Name: 5-(2-chlorophenyl)-3-ethenyl-7-nitro-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine IUPAC Name: 5-(2-chlorophenyl)-3-ethenyl-7-nitro-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine Traditional Name: 5-(2-chlorophenyl)-7-nitro-3-vinyl-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine Formula: C18H12ClN5O2 MolecularWeight: 365.77318

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C2C(=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4Cl)NN1

Isomeric SMILES

C=CC1=C2C(=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4Cl)NN1

InChI

InChI=1S/C18H12ClN5O2/c1-2-14-17-18(23-22-14)20-15-8-7-10(24(25)26)9-12(15)16(21-17)11-5-3-4-6-13(11)19/h2-9H,1H2,(H2,20,22,23)