5-[[azanyl(phenylmethoxycarbonylamino)methylidene]amino]-2-nitramido-pentanoic acid

Systemtic Name: 5-[[azanyl(phenylmethoxycarbonylamino)methylidene]amino]-2-nitramido-pentanoic acid Openeye Name: 5-[[amino(benzyloxycarbonylamino)methylene]amino]-2-nitramido-pentanoic acid CAS Name: 5-[[amino(phenylmethoxycarbonylamino)methylidene]amino]-2-nitramidopentanoic acid IUPAC Name: 5-[[amino(phenylmethoxycarbonylamino)methylidene]amino]-2-nitramidopentanoic acid Traditional Name: 5-[[amino(benzyloxycarbonylamino)methylene]amino]-2-nitramido-valeric acid Formula: C14H19N5O6 MolecularWeight: 353.33056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O6/c15-13(16-8-4-7-11(12(20)21)18-19(23)24)17-14(22)25-9-10-5-2-1-3-6-10/h1-3,5-6,11,18H,4,7-9H2,(H,20,21)(H3,15,16,17,22)