2-oxidanylidenepropyl 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: 2-oxidanylidenepropyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: acetonyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid acetonyl ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCOC

Isomeric SMILES

CC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C13H16N2O6/c1-9(16)8-21-13(17)11-7-10(15(18)19)3-4-12(11)14-5-6-20-2/h3-4,7,14H,5-6,8H2,1-2H3