(3-nitrooxyphenyl) 2-azanyl-5-(carbamothioylamino)pentanoate

Systemtic Name: (3-nitrooxyphenyl) 2-azanyl-5-(carbamothioylamino)pentanoate Openeye Name: (3-nitrooxyphenyl) 2-amino-5-(carbamothioylamino)pentanoate CAS Name: 2-amino-5-(carbamothioylamino)pentanoic acid (3-nitrooxyphenyl) ester IUPAC Name: (3-nitrooxyphenyl) 2-amino-5-(carbamothioylamino)pentanoate Traditional Name: 2-amino-5-thioureido-valeric acid (3-nitrooxyphenyl) ester Formula: C12H16N4O5S MolecularWeight: 328.34424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O[N+](=O)[O-])OC(=O)C(CCCNC(=S)N)N

Isomeric SMILES

C1=CC(=CC(=C1)O[N+](=O)[O-])OC(=O)C(CCCNC(=S)N)N

InChI

InChI=1S/C12H16N4O5S/c13-10(5-2-6-15-12(14)22)11(17)20-8-3-1-4-9(7-8)21-16(18)19/h1,3-4,7,10H,2,5-6,13H2,(H3,14,15,22)