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

Systemtic Name: [2-(3-methoxypropylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-(3-methoxypropylamino)-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-(3-methoxypropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxypropylamino)-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-2-(3-methoxypropylamino)ethyl] ester Formula: C13H15ClN2O6 MolecularWeight: 330.721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O6/c1-21-6-2-5-15-12(17)8-22-13(18)10-7-9(16(19)20)3-4-11(10)14/h3-4,7H,2,5-6,8H2,1H3,(H,15,17)