(4-nitrophenyl)methyl 2-[bis(azanyl)methylideneamino]-2-sulfanyl-propanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[bis(azanyl)methylideneamino]-2-sulfanyl-propanoate Openeye Name: (4-nitrophenyl)methyl 2-guanidino-2-sulfanyl-propanoate CAS Name: 2-(diaminomethylideneamino)-2-mercaptopropanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(diaminomethylideneamino)-2-sulfanylpropanoate Traditional Name: 2-guanidino-2-mercapto-propionic acid (4-nitrobenzyl) ester Formula: C11H14N4O4S MolecularWeight: 298.31826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])(N=C(N)N)S

Isomeric SMILES

CC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])(N=C(N)N)S

InChI

InChI=1S/C11H14N4O4S/c1-11(20,14-10(12)13)9(16)19-6-7-2-4-8(5-3-7)15(17)18/h2-5,20H,6H2,1H3,(H4,12,13,14)