[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C21H15ClN2O6S MolecularWeight: 458.8716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C21H15ClN2O6S/c22-17-8-7-13(10-18(17)24(28)29)20(26)15-5-1-2-6-16(15)21(27)30-12-19(25)23-11-14-4-3-9-31-14/h1-10H,11-12H2,(H,23,25)