(2-oxidanylidene-2-phenylazanyl-ethyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C17H17N3O6/c21-9-8-18-15-7-6-13(20(24)25)10-14(15)17(23)26-11-16(22)19-12-4-2-1-3-5-12/h1-7,10,18,21H,8-9,11H2,(H,19,22)