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

Systemtic Name: 6-nitro-3-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one Openeye Name: 6-nitro-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]-1,3-benzoxazol-2-one IUPAC Name: 6-nitro-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-(4-phenylpiperazino)butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

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