methyl 3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)benzoate Openeye Name: methyl 3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate CAS Name: 3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate Traditional Name: 3-nitro-4-[4-(2-thenoyl)piperazino]benzoic acid methyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-25-17(22)12-4-5-13(14(11-12)20(23)24)18-6-8-19(9-7-18)16(21)15-3-2-10-26-15/h2-5,10-11H,6-9H2,1H3