methyl 2-[(2-chloranyl-5-nitro-phenyl)methylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[(2-chloranyl-5-nitro-phenyl)methylamino]-2-methyl-propanoate Openeye Name: methyl 2-[(2-chloro-5-nitro-phenyl)methylamino]-2-methyl-propanoate CAS Name: 2-[(2-chloro-5-nitrophenyl)methylamino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-5-nitrophenyl)methylamino]-2-methylpropanoate Traditional Name: 2-[(2-chloro-5-nitro-benzyl)amino]-2-methyl-propionic acid methyl ester Formula: C12H15ClN2O4 MolecularWeight: 286.7115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN2O4/c1-12(2,11(16)19-3)14-7-8-6-9(15(17)18)4-5-10(8)13/h4-6,14H,7H2,1-3H3