3-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-butyl]-1,3-benzoxazol-2-one CAS Name: 3-[4-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxobutyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-[4-(4-nitrophenyl)piperazino]butyl]-1,3-benzoxazol-2-one Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H22N4O5/c26-20(6-3-11-24-18-4-1-2-5-19(18)30-21(24)27)23-14-12-22(13-15-23)16-7-9-17(10-8-16)25(28)29/h1-2,4-5,7-10H,3,6,11-15H2