[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C16H15ClN2O6S MolecularWeight: 398.8181

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN2O6S/c1-24-7-6-18-11-3-2-10(8-12(11)19(22)23)16(21)25-9-13(20)14-4-5-15(17)26-14/h2-5,8,18H,6-7,9H2,1H3