methyl 3-nitro-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-nitro-5-[4-(3-thienylmethyl)piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-(3-thenyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-26-18(23)15-8-14(9-16(10-15)21(24)25)17(22)20-5-3-19(4-6-20)11-13-2-7-27-12-13/h2,7-10,12H,3-6,11H2,1H3