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

Systemtic Name: ethyl 3-nitro-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonyl-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 3-nitro-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-(2-thenoyl)piperazine-1-carbonyl]benzoic acid ethyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O6S/c1-2-28-19(25)14-10-13(11-15(12-14)22(26)27)17(23)20-5-7-21(8-6-20)18(24)16-4-3-9-29-16/h3-4,9-12H,2,5-8H2,1H3