methyl 2-[(5-fluoranyl-2-nitro-phenyl)methylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(5-fluoranyl-2-nitro-phenyl)methylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(5-fluoro-2-nitro-phenyl)methylamino]-3-methyl-butanoate CAS Name: 2-[(5-fluoro-2-nitrophenyl)methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(5-fluoro-2-nitrophenyl)methylamino]-3-methylbutanoate Traditional Name: 2-[(5-fluoro-2-nitro-benzyl)amino]-3-methyl-butyric acid methyl ester Formula: C13H17FN2O4 MolecularWeight: 284.283483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN2O4/c1-8(2)12(13(17)20-3)15-7-9-6-10(14)4-5-11(9)16(18)19/h4-6,8,12,15H,7H2,1-3H3