3-oxidanylidenebutan-2-yl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (2-keto-1-methyl-propyl) ester Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6/c1-9(17)10(2)22-14(18)11-4-5-12(15-6-7-21-3)13(8-11)16(19)20/h4-5,8,10,15H,6-7H2,1-3H3