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

Systemtic Name: 6-nitro-3-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,3-benzoxazol-2-one Openeye Name: 6-nitro-3-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-butyl]-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[4-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxobutyl]-1,3-benzoxazol-2-one IUPAC Name: 6-nitro-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]-6-nitro-1,3-benzoxazol-2-one Formula: C21H21N5O7 MolecularWeight: 455.42074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O7/c27-20(23-12-10-22(11-13-23)15-3-5-16(6-4-15)25(29)30)2-1-9-24-18-8-7-17(26(31)32)14-19(18)33-21(24)28/h3-8,14H,1-2,9-13H2