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

Systemtic Name: methyl 5-nitro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 5-nitro-2-[4-(2-thienylmethyl)piperazin-1-yl]benzoate CAS Name: 5-nitro-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzoate Traditional Name: 5-nitro-2-[4-(2-thenyl)piperazino]benzoic acid methyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C17H19N3O4S/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