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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-(dimethylamino)-5-nitro-benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C17H17N3O5/c1-19(2)15-9-8-13(20(23)24)10-14(15)17(22)25-11-16(21)18-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,21)