[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5S/c15-12-4-3-9(17(20)21)6-11(12)14(19)22-8-13(18)16-7-10-2-1-5-23-10/h1-6H,7-8,15H2,(H,16,18)