(2S)-3-methyl-2-[(3-nitrophenyl)methylcarbamoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[(3-nitrophenyl)methylcarbamoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[(3-nitrophenyl)methylcarbamoylamino]butanoate CAS Name: (2S)-3-methyl-2-[[[(3-nitrophenyl)methylamino]-oxomethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[(3-nitrophenyl)methylcarbamoylamino]butanoate Traditional Name: (2S)-3-methyl-2-[(3-nitrobenzyl)carbamoylamino]butyrate Formula: C13H16N3O5- MolecularWeight: 294.28324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-8(2)11(12(17)18)15-13(19)14-7-9-4-3-5-10(6-9)16(20)21/h3-6,8,11H,7H2,1-2H3,(H,17,18)(H2,14,15,19)/p-1/t11-/m0/s1