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

Systemtic Name: 6-nitro-3-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-(4-benzylpiperazin-1-yl)-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-(4-benzylpiperazino)-4-keto-butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H24N4O5/c27-21(24-13-11-23(12-14-24)16-17-5-2-1-3-6-17)7-4-10-25-19-9-8-18(26(29)30)15-20(19)31-22(25)28/h1-3,5-6,8-9,15H,4,7,10-14,16H2