2-[1-(3-nitrophenyl)butylamino]ethanoic acid

Systemtic Name: 2-[1-(3-nitrophenyl)butylamino]ethanoic acid Openeye Name: 2-[1-(3-nitrophenyl)butylamino]acetic acid CAS Name: 2-[1-(3-nitrophenyl)butylamino]acetic acid IUPAC Name: 2-[1-(3-nitrophenyl)butylamino]acetic acid Traditional Name: 2-[1-(3-nitrophenyl)butylamino]acetic acid Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-2-4-11(13-8-12(15)16)9-5-3-6-10(7-9)14(17)18/h3,5-7,11,13H,2,4,8H2,1H3,(H,15,16)