4-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-3-one Openeye Name: 4-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxo-propyl]-1,4-benzoxazin-3-one CAS Name: 4-[3-[4-(4-nitrophenyl)-1-piperazinyl]-3-oxopropyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-keto-3-[4-(4-nitrophenyl)piperazino]propyl]-1,4-benzoxazin-3-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)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

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