[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-[2-(4-ethoxyphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O7S/c1-2-24-12-3-5-13(6-4-12)25-10-9-18-15(20)11-26-17(21)14-7-8-16(27-14)19(22)23/h3-8H,2,9-11H2,1H3,(H,18,20)