4-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-5-nitro-phthalonitrile CAS Name: 4-[4-(1,3-benzoxazol-2-yl)-1-piperazinyl]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[4-(1,3-benzoxazol-2-yl)piperazino]-5-nitro-phthalonitrile Formula: C19H14N6O3 MolecularWeight: 374.35286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-])C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-])C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H14N6O3/c20-11-13-9-16(17(25(26)27)10-14(13)12-21)23-5-7-24(8-6-23)19-22-15-3-1-2-4-18(15)28-19/h1-4,9-10H,5-8H2