2-[[1-ethoxy-4-(4-nitrophenyl)-1-oxidanylidene-butan-2-yl]amino]propanoic acid

Systemtic Name: 2-[[1-ethoxy-4-(4-nitrophenyl)-1-oxidanylidene-butan-2-yl]amino]propanoic acid Openeye Name: 2-[[1-ethoxycarbonyl-3-(4-nitrophenyl)propyl]amino]propanoic acid CAS Name: 2-[[1-ethoxy-4-(4-nitrophenyl)-1-oxobutan-2-yl]amino]propanoic acid IUPAC Name: 2-[[1-ethoxy-4-(4-nitrophenyl)-1-oxobutan-2-yl]amino]propanoic acid Traditional Name: 2-[[1-carbethoxy-3-(4-nitrophenyl)propyl]amino]propionic acid Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])NC(C)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])NC(C)C(=O)O

InChI

InChI=1S/C15H20N2O6/c1-3-23-15(20)13(16-10(2)14(18)19)9-6-11-4-7-12(8-5-11)17(21)22/h4-5,7-8,10,13,16H,3,6,9H2,1-2H3,(H,18,19)