ethyl 3-nitro-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-benzoate

Systemtic Name: ethyl 3-nitro-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-benzoate Openeye Name: ethyl 3-nitro-5-[4-(2-thienylmethyl)piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-(2-thenyl)piperazine-1-carbonyl]benzoic acid ethyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-2-27-19(24)15-10-14(11-16(12-15)22(25)26)18(23)21-7-5-20(6-8-21)13-17-4-3-9-28-17/h3-4,9-12H,2,5-8,13H2,1H3