(2-azanyl-2-oxidanylidene-ethyl) 2-(diethylamino)-5-nitro-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-(diethylamino)-5-nitro-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-3-15(4-2)11-6-5-9(16(19)20)7-10(11)13(18)21-8-12(14)17/h5-7H,3-4,8H2,1-2H3,(H2,14,17)