7,8-bis(fluoranyl)-6-nitro-3-(phenylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

Systemtic Name: 7,8-bis(fluoranyl)-6-nitro-3-(phenylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione Openeye Name: 3-benzyl-7,8-difluoro-6-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione CAS Name: 7,8-difluoro-6-nitro-3-(phenylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione IUPAC Name: 3-benzyl-7,8-difluoro-6-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione Traditional Name: 3-benzyl-7,8-difluoro-6-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-quinone Formula: C16H11F2N3O4 MolecularWeight: 347.273046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)NC3=CC(=C(C(=C3C(=O)N2)[N+](=O)[O-])F)F

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)NC3=CC(=C(C(=C3C(=O)N2)[N+](=O)[O-])F)F

InChI

InChI=1S/C16H11F2N3O4/c17-9-7-10-12(14(13(9)18)21(24)25)16(23)20-11(15(22)19-10)6-8-4-2-1-3-5-8/h1-5,7,11H,6H2,(H,19,22)(H,20,23)