3-azanyl-1-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-azanyl-1-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-amino-1-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: 3-amino-1-[4-(3-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-amino-1-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-amino-1-[4-(3-nitrophenyl)piperazino]propan-1-one Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CCN

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CCN

InChI

InChI=1S/C13H18N4O3/c14-5-4-13(18)16-8-6-15(7-9-16)11-2-1-3-12(10-11)17(19)20/h1-3,10H,4-9,14H2