methyl 2-[(4-bromanyl-3-nitro-phenyl)methylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[(4-bromanyl-3-nitro-phenyl)methylamino]-2-methyl-propanoate Openeye Name: methyl 2-[(4-bromo-3-nitro-phenyl)methylamino]-2-methyl-propanoate CAS Name: 2-[(4-bromo-3-nitrophenyl)methylamino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-3-nitrophenyl)methylamino]-2-methylpropanoate Traditional Name: 2-[(4-bromo-3-nitro-benzyl)amino]-2-methyl-propionic acid methyl ester Formula: C12H15BrN2O4 MolecularWeight: 331.1625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O4/c1-12(2,11(16)19-3)14-7-8-4-5-9(13)10(6-8)15(17)18/h4-6,14H,7H2,1-3H3