[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[4-(1-naphthylmethyl)piperazin-1-yl]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[4-(1-naphthalenylmethyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-[4-(1-naphthylmethyl)piperazino]ethyl] ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)COC(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)COC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5S/c26-20(15-30-22(27)19-8-9-21(31-19)25(28)29)24-12-10-23(11-13-24)14-17-6-3-5-16-4-1-2-7-18(16)17/h1-9H,10-15H2