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

Systemtic Name: 6-nitro-3-[4-oxidanylidene-4-[4-(phenylcarbonyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-(4-benzoylpiperazin-1-yl)-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-(4-benzoyl-1-piperazinyl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-(4-benzoylpiperazino)-4-keto-butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O6/c27-20(23-11-13-24(14-12-23)21(28)16-5-2-1-3-6-16)7-4-10-25-18-9-8-17(26(30)31)15-19(18)32-22(25)29/h1-3,5-6,8-9,15H,4,7,10-14H2