(2S)-2-methyl-2-[(2-nitrophenyl)methylcarbamoylamino]butanoate

Systemtic Name: (2S)-2-methyl-2-[(2-nitrophenyl)methylcarbamoylamino]butanoate Openeye Name: (2S)-2-methyl-2-[(2-nitrophenyl)methylcarbamoylamino]butanoate CAS Name: (2S)-2-methyl-2-[[[(2-nitrophenyl)methylamino]-oxomethyl]amino]butanoate IUPAC Name: (2S)-2-methyl-2-[(2-nitrophenyl)methylcarbamoylamino]butanoate Traditional Name: (2S)-2-methyl-2-[(2-nitrobenzyl)carbamoylamino]butyrate Formula: C13H16N3O5- MolecularWeight: 294.28324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-3-13(2,11(17)18)15-12(19)14-8-9-6-4-5-7-10(9)16(20)21/h4-7H,3,8H2,1-2H3,(H,17,18)(H2,14,15,19)/p-1/t13-/m0/s1