2-azanyl-3-(2-butoxycarbonyl-4-nitro-phenyl)propanoic acid

Systemtic Name: 2-azanyl-3-(2-butoxycarbonyl-4-nitro-phenyl)propanoic acid Openeye Name: 2-amino-3-(2-butoxycarbonyl-4-nitro-phenyl)propanoic acid CAS Name: 2-amino-3-[2-[butoxy(oxo)methyl]-4-nitrophenyl]propanoic acid IUPAC Name: 2-amino-3-(2-butoxycarbonyl-4-nitrophenyl)propanoic acid Traditional Name: 2-amino-3-(2-butoxycarbonyl-4-nitro-phenyl)propionic acid Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6/c1-2-3-6-22-14(19)11-8-10(16(20)21)5-4-9(11)7-12(15)13(17)18/h4-5,8,12H,2-3,6-7,15H2,1H3,(H,17,18)