(6aS)-2,4-bis(bromanyl)-5-[(4-nitrophenyl)methyl]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

Systemtic Name: (6aS)-2,4-bis(bromanyl)-5-[(4-nitrophenyl)methyl]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione Openeye Name: (6aS)-2,4-dibromo-5-[(4-nitrophenyl)methyl]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione CAS Name: (6aS)-2,4-dibromo-5-[(4-nitrophenyl)methyl]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione IUPAC Name: (6aS)-2,4-dibromo-5-[(4-nitrophenyl)methyl]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione Traditional Name: (6aS)-2,4-dibromo-5-(4-nitrobenzyl)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-quinone Formula: C19H15Br2N3O4 MolecularWeight: 509.1481

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)N(C3=C(C=C(C=C3C(=O)N2C1)Br)Br)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[C@H]2C(=O)N(C3=C(C=C(C=C3C(=O)N2C1)Br)Br)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15Br2N3O4/c20-12-8-14-17(15(21)9-12)23(10-11-3-5-13(6-4-11)24(27)28)19(26)16-2-1-7-22(16)18(14)25/h3-6,8-9,16H,1-2,7,10H2/t16-/m0/s1