[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-nitrobenzoate Traditional Name: 3-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=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC=CS2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC=CS2

InChI

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