ethyl (2S)-3-methyl-2-[(3-nitrophenyl)carbonylamino]butanoate

Systemtic Name: ethyl (2S)-3-methyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: ethyl (2S)-3-methyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-methyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(3-nitrobenzoyl)amino]butyric acid ethyl ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](C(C)C)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O5/c1-4-21-14(18)12(9(2)3)15-13(17)10-6-5-7-11(8-10)16(19)20/h5-9,12H,4H2,1-3H3,(H,15,17)/t12-/m0/s1