1-[2,3-bis(oxidanyl)propyl]-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-[2,3-bis(oxidanyl)propyl]-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(2,3-dihydroxypropyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-(2,3-dihydroxypropyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(2,3-dihydroxypropyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-glyceryl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3)CC(CO)O

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3)CC(CO)O

InChI

InChI=1S/C18H17N3O5/c22-11-14(23)10-20-16-7-6-13(21(25)26)8-15(16)18(19-9-17(20)24)12-4-2-1-3-5-12/h1-8,14,22-23H,9-11H2