[4-(ethylamino)-1,3-dimethoxy-butan-2-yl] 4-nitrobenzoate chloride

Systemtic Name: [4-(ethylamino)-1,3-dimethoxy-butan-2-yl] 4-nitrobenzoate chloride Openeye Name: [3-(ethylamino)-2-methoxy-1-(methoxymethyl)propyl] 4-nitrobenzoate chloride CAS Name: 4-nitrobenzoic acid [4-(ethylamino)-1,3-dimethoxybutan-2-yl] ester chloride IUPAC Name: [4-(ethylamino)-1,3-dimethoxybutan-2-yl] 4-nitrobenzoate chloride Traditional Name: 4-nitrobenzoic acid [3-(ethylamino)-2-methoxy-1-(methoxymethyl)propyl] ester chloride Formula: C15H22ClN2O6- MolecularWeight: 361.79798

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(C(COC)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC.[Cl-]

Isomeric SMILES

CCNCC(C(COC)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC.[Cl-]

InChI

InChI=1S/C15H22N2O6.ClH/c1-4-16-9-13(22-3)14(10-21-2)23-15(18)11-5-7-12(8-6-11)17(19)20;/h5-8,13-14,16H,4,9-10H2,1-3H3;1H/p-1