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

Systemtic Name: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N2O6S/c1-11-3-4-13(12(2)9-11)24-8-7-18-15(20)10-25-17(21)14-5-6-16(26-14)19(22)23/h3-6,9H,7-8,10H2,1-2H3,(H,18,20)