(2S)-2-[(4-nitrophenyl)methylcarbamoylamino]propanoic acid

Systemtic Name: (2S)-2-[(4-nitrophenyl)methylcarbamoylamino]propanoic acid Openeye Name: (2S)-2-[(4-nitrophenyl)methylcarbamoylamino]propanoic acid CAS Name: (2S)-2-[[[(4-nitrophenyl)methylamino]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(4-nitrophenyl)methylcarbamoylamino]propanoic acid Traditional Name: (2S)-2-[(4-nitrobenzyl)carbamoylamino]propionic acid Formula: C11H13N3O5 MolecularWeight: 267.23802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O5/c1-7(10(15)16)13-11(17)12-6-8-2-4-9(5-3-8)14(18)19/h2-5,7H,6H2,1H3,(H,15,16)(H2,12,13,17)/t7-/m0/s1