19-nitro-21-oxidanyl-9-oxa-6,12-dithia-3,15-diazabicyclo[15.3.1]henicosa-1(20),17(21),18-triene-4,14-dione

Systemtic Name: 19-nitro-21-oxidanyl-9-oxa-6,12-dithia-3,15-diazabicyclo[15.3.1]henicosa-1(20),17(21),18-triene-4,14-dione Openeye Name: 21-hydroxy-19-nitro-9-oxa-6,12-dithia-3,15-diazabicyclo[15.3.1]henicosa-1(20),17(21),18-triene-4,14-dione CAS Name: 21-hydroxy-19-nitro-9-oxa-6,12-dithia-3,15-diazabicyclo[15.3.1]heneicosa-1(20),17(21),18-triene-4,14-dione IUPAC Name: 21-hydroxy-19-nitro-9-oxa-6,12-dithia-3,15-diazabicyclo[15.3.1]henicosa-1(20),17(21),18-triene-4,14-dione Traditional Name: 21-hydroxy-19-nitro-9-oxa-6,12-dithia-3,15-diazabicyclo[15.3.1]heneicosa-1(20),17(21),18-triene-4,14-quinone Formula: C16H21N3O6S2 MolecularWeight: 415.48444

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(=O)NCC2=CC(=CC(=C2O)CNC(=O)CSCCO1)[N+](=O)[O-]

Isomeric SMILES

C1CSCC(=O)NCC2=CC(=CC(=C2O)CNC(=O)CSCCO1)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O6S2/c20-14-9-26-3-1-25-2-4-27-10-15(21)18-8-12-6-13(19(23)24)5-11(7-17-14)16(12)22/h5-6,22H,1-4,7-10H2,(H,17,20)(H,18,21)