methyl 2-[(4-methoxy-3-nitro-phenyl)methylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(4-methoxy-3-nitro-phenyl)methylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(4-methoxy-3-nitro-phenyl)methylamino]-3-methyl-butanoate CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(4-methoxy-3-nitrophenyl)methylamino]-3-methylbutanoate Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)amino]-3-methyl-butyric acid methyl ester Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5/c1-9(2)13(14(17)21-4)15-8-10-5-6-12(20-3)11(7-10)16(18)19/h5-7,9,13,15H,8H2,1-4H3