[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCO2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCO2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6/c1-10-4-5-11(7-13(10)17(20)21)15(19)23-9-14(18)16-8-12-3-2-6-22-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,16,18)