9H-fluoren-9-ylmethyl 1-(1H-imidazol-5-ylmethyl)-8-nitro-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: 9H-fluoren-9-ylmethyl 1-(1H-imidazol-5-ylmethyl)-8-nitro-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Openeye Name: 9H-fluoren-9-ylmethyl 1-(1H-imidazol-5-ylmethyl)-8-nitro-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate CAS Name: 1-(1H-imidazol-5-ylmethyl)-8-nitro-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl 1-(1H-imidazol-5-ylmethyl)-8-nitro-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Traditional Name: 1-(1H-imidazol-5-ylmethyl)-8-nitro-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid 9H-fluoren-9-ylmethyl ester Formula: C28H25N5O4 MolecularWeight: 495.5292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C=CC(=C2)[N+](=O)[O-])CC6=CN=CN6

Isomeric SMILES

C1CN(C2=C(CN1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C=CC(=C2)[N+](=O)[O-])CC6=CN=CN6

InChI

InChI=1S/C28H25N5O4/c34-28(37-17-26-24-7-3-1-5-22(24)23-6-2-4-8-25(23)26)32-12-11-31(16-20-14-29-18-30-20)27-13-21(33(35)36)10-9-19(27)15-32/h1-10,13-14,18,26H,11-12,15-17H2,(H,29,30)