[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C15H13ClN2O5S MolecularWeight: 368.79212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CCNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H13ClN2O5S/c16-12-4-3-10(8-13(12)18(21)22)15(20)23-9-14(19)17-6-5-11-2-1-7-24-11/h1-4,7-8H,5-6,9H2,(H,17,19)