(2S)-3-methyl-2-[(4-nitrophenyl)methylcarbamoylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(4-nitrophenyl)methylcarbamoylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[(4-nitrophenyl)methylcarbamoylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[[(4-nitrophenyl)methylamino]-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(4-nitrophenyl)methylcarbamoylamino]butanoic acid Traditional Name: (2S)-3-methyl-2-[(4-nitrobenzyl)carbamoylamino]butyric acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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