methyl 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(2-furylmethyl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-(2-furanylmethyl)-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(2-furfuryl)piperazino]-5-nitro-benzoic acid methyl ester Formula: C17H19N3O5 MolecularWeight: 345.34986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC3=CC=CO3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C17H19N3O5/c1-24-17(21)15-11-13(20(22)23)4-5-16(15)19-8-6-18(7-9-19)12-14-3-2-10-25-14/h2-5,10-11H,6-9,12H2,1H3