N-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(1,1-diketothiolan-3-yl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C15H17N3O7S MolecularWeight: 383.37638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C15H17N3O7S/c19-14(16-10-5-7-26(23,24)9-10)2-1-6-17-12-4-3-11(18(21)22)8-13(12)25-15(17)20/h3-4,8,10H,1-2,5-7,9H2,(H,16,19)