[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-nitrobenzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O5S/c17-13(15-8-12-2-1-7-22-12)9-21-14(18)10-3-5-11(6-4-10)16(19)20/h1-7H,8-9H2,(H,15,17)