5-(aminocarbonylamino)-2-azanyl-pentanoic acid; 1-(chloromethyl)-4-nitro-benzene

Systemtic Name: 5-(aminocarbonylamino)-2-azanyl-pentanoic acid; 1-(chloromethyl)-4-nitro-benzene Openeye Name: 2-amino-5-ureido-pentanoic acid; 1-(chloromethyl)-4-nitro-benzene CAS Name: 2-amino-5-(carbamoylamino)pentanoic acid; 1-(chloromethyl)-4-nitrobenzene IUPAC Name: 2-amino-5-(carbamoylamino)pentanoic acid; 1-(chloromethyl)-4-nitrobenzene Traditional Name: 2-amino-5-ureido-valeric acid; 1-(chloromethyl)-4-nitro-benzene Formula: C13H19ClN4O5 MolecularWeight: 346.76676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCl)[N+](=O)[O-].C(CC(C(=O)O)N)CNC(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCl)[N+](=O)[O-].C(CC(C(=O)O)N)CNC(=O)N

InChI

InChI=1S/C7H6ClNO2.C6H13N3O3/c8-5-6-1-3-7(4-2-6)9(10)11;7-4(5(10)11)2-1-3-9-6(8)12/h1-4H,5H2;4H,1-3,7H2,(H,10,11)(H3,8,9,12)