2-[1-(2,3-dimethyl-6-nitro-phenyl)propan-2-ylamino]ethanoate

Systemtic Name: 2-[1-(2,3-dimethyl-6-nitro-phenyl)propan-2-ylamino]ethanoate Openeye Name: 2-[[2-(2,3-dimethyl-6-nitro-phenyl)-1-methyl-ethyl]amino]acetate CAS Name: 2-[1-(2,3-dimethyl-6-nitrophenyl)propan-2-ylamino]acetate IUPAC Name: 2-[1-(2,3-dimethyl-6-nitrophenyl)propan-2-ylamino]acetate Traditional Name: 2-[[2-(2,3-dimethyl-6-nitro-phenyl)-1-methyl-ethyl]amino]acetate Formula: C13H17N2O4- MolecularWeight: 265.28508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-8-4-5-12(15(18)19)11(10(8)3)6-9(2)14-7-13(16)17/h4-5,9,14H,6-7H2,1-3H3,(H,16,17)/p-1