2-[4-[2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-keto-6-nitro-1,3-benzoxazol-3-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C20H17N5O7S MolecularWeight: 471.44328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H17N5O7S/c21-12-14-3-1-2-4-18(14)33(30,31)23-9-7-22(8-10-23)19(26)13-24-16-6-5-15(25(28)29)11-17(16)32-20(24)27/h1-6,11H,7-10,13H2