[1,1-bis(oxidanylidene)-4-phenylazanyl-thiolan-3-yl] 4-nitrobenzoate

Systemtic Name: [1,1-bis(oxidanylidene)-4-phenylazanyl-thiolan-3-yl] 4-nitrobenzoate Openeye Name: (4-anilino-1,1-dioxo-thiolan-3-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4-anilino-1,1-dioxo-3-thiolanyl) ester IUPAC Name: (4-anilino-1,1-dioxothiolan-3-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-anilino-1,1-diketo-thiolan-3-yl) ester Formula: C17H16N2O6S MolecularWeight: 376.38374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1(=O)=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

C1C(C(CS1(=O)=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C17H16N2O6S/c20-17(12-6-8-14(9-7-12)19(21)22)25-16-11-26(23,24)10-15(16)18-13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2