(2S)-2-methyl-2-[(3-nitrophenyl)methylcarbamoylamino]butanoic acid

Systemtic Name: (2S)-2-methyl-2-[(3-nitrophenyl)methylcarbamoylamino]butanoic acid Openeye Name: (2S)-2-methyl-2-[(3-nitrophenyl)methylcarbamoylamino]butanoic acid CAS Name: (2S)-2-methyl-2-[[[(3-nitrophenyl)methylamino]-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-2-methyl-2-[(3-nitrophenyl)methylcarbamoylamino]butanoic acid Traditional Name: (2S)-2-methyl-2-[(3-nitrobenzyl)carbamoylamino]butyric acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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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)14-8-9-5-4-6-10(7-9)16(20)21/h4-7H,3,8H2,1-2H3,(H,17,18)(H2,14,15,19)/t13-/m0/s1