[2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylbutylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-(1-phenylbutylamino)ethyl] ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5S/c1-2-6-13(12-7-4-3-5-8-12)18-15(20)11-24-17(21)14-9-10-16(25-14)19(22)23/h3-5,7-10,13H,2,6,11H2,1H3,(H,18,20)