2-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(4-methoxy-2-nitro-phenyl)piperazino]acetic acid Formula: C13H17N3O5 MolecularWeight: 295.29118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-21-10-2-3-11(12(8-10)16(19)20)15-6-4-14(5-7-15)9-13(17)18/h2-3,8H,4-7,9H2,1H3,(H,17,18)