methyl 2-[3-(dimethylamino)propoxy]-4-nitro-benzoate

Systemtic Name: methyl 2-[3-(dimethylamino)propoxy]-4-nitro-benzoate Openeye Name: methyl 2-[3-(dimethylamino)propoxy]-4-nitro-benzoate CAS Name: 2-[3-(dimethylamino)propoxy]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[3-(dimethylamino)propoxy]-4-nitrobenzoate Traditional Name: 2-[3-(dimethylamino)propoxy]-4-nitro-benzoic acid methyl ester Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(C)CCCOC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H18N2O5/c1-14(2)7-4-8-20-12-9-10(15(17)18)5-6-11(12)13(16)19-3/h5-6,9H,4,7-8H2,1-3H3