[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-(3-isopropoxypropylamino)-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-(3-isopropoxypropylamino)-2-keto-ethyl] ester Formula: C15H19ClN2O6 MolecularWeight: 358.77416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O6/c1-10(2)23-7-3-6-17-14(19)9-24-15(20)12-8-11(18(21)22)4-5-13(12)16/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,17,19)