2-[(4-nitrophenyl)methylamino]propanoic acid

Systemtic Name: 2-[(4-nitrophenyl)methylamino]propanoic acid Openeye Name: 2-[(4-nitrophenyl)methylamino]propanoic acid CAS Name: 2-[(4-nitrophenyl)methylamino]propanoic acid IUPAC Name: 2-[(4-nitrophenyl)methylamino]propanoic acid Traditional Name: 2-[(4-nitrobenzyl)amino]propionic acid Formula: C10H12N2O4 MolecularWeight: 224.21328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)NCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O4/c1-7(10(13)14)11-6-8-2-4-9(5-3-8)12(15)16/h2-5,7,11H,6H2,1H3,(H,13,14)