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

Systemtic Name: 5-(2-chlorophenyl)-3-cyclopropyl-7-nitro-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine Openeye Name: 5-(2-chlorophenyl)-3-cyclopropyl-7-nitro-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine CAS Name: 5-(2-chlorophenyl)-3-cyclopropyl-7-nitro-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine IUPAC Name: 5-(2-chlorophenyl)-3-cyclopropyl-7-nitro-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine Traditional Name: 5-(2-chlorophenyl)-3-cyclopropyl-7-nitro-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine Formula: C19H14ClN5O2 MolecularWeight: 379.79976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C3C(=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=N3)C5=CC=CC=C5Cl)NN2

Isomeric SMILES

C1CC1C2=C3C(=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=N3)C5=CC=CC=C5Cl)NN2

InChI

InChI=1S/C19H14ClN5O2/c20-14-4-2-1-3-12(14)17-13-9-11(25(26)27)7-8-15(13)21-19-18(22-17)16(23-24-19)10-5-6-10/h1-4,7-10H,5-6H2,(H2,21,23,24)