methyl 2-azanyl-2-[(4-nitrophenyl)methyl]butanoate

Systemtic Name: methyl 2-azanyl-2-[(4-nitrophenyl)methyl]butanoate Openeye Name: methyl 2-amino-2-[(4-nitrophenyl)methyl]butanoate CAS Name: 2-amino-2-[(4-nitrophenyl)methyl]butanoic acid methyl ester IUPAC Name: methyl 2-amino-2-[(4-nitrophenyl)methyl]butanoate Traditional Name: 2-amino-2-(4-nitrobenzyl)butyric acid methyl ester Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)OC)N

Isomeric SMILES

CCC(CC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)OC)N

InChI

InChI=1S/C12H16N2O4/c1-3-12(13,11(15)18-2)8-9-4-6-10(7-5-9)14(16)17/h4-7H,3,8,13H2,1-2H3