methyl 3-nitro-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonyl-benzoate Openeye Name: methyl 3-nitro-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-(2-thenoyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6S/c1-27-18(24)13-9-12(10-14(11-13)21(25)26)16(22)19-4-6-20(7-5-19)17(23)15-3-2-8-28-15/h2-3,8-11H,4-7H2,1H3