[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(3-isopropoxypropylamino)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(3-isopropoxypropylamino)-2-keto-ethyl] ester Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-11(2)23-8-4-7-17-15(19)10-24-16(20)13-5-6-14(18(21)22)12(3)9-13/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,17,19)