(4-nitrophenyl)methyl 2-azanyl-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: (4-nitrophenyl)methyl 2-azanyl-3-(1H-imidazol-5-yl)propanoate Openeye Name: (4-nitrophenyl)methyl 2-amino-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-amino-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-amino-3-(1H-imidazol-5-yl)propionic acid (4-nitrobenzyl) ester Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C(CC2=CN=CN2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C(CC2=CN=CN2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4/c14-12(5-10-6-15-8-16-10)13(18)21-7-9-1-3-11(4-2-9)17(19)20/h1-4,6,8,12H,5,7,14H2,(H,15,16)