methyl 3-[(4-chloranyl-3-nitro-phenyl)carbamothioylamino]propanoate

Systemtic Name: methyl 3-[(4-chloranyl-3-nitro-phenyl)carbamothioylamino]propanoate Openeye Name: methyl 3-[(4-chloro-3-nitro-phenyl)carbamothioylamino]propanoate CAS Name: 3-[[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-chloro-3-nitrophenyl)carbamothioylamino]propanoate Traditional Name: 3-[(4-chloro-3-nitro-phenyl)thiocarbamoylamino]propionic acid methyl ester Formula: C11H12ClN3O4S MolecularWeight: 317.74868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=S)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCNC(=S)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H12ClN3O4S/c1-19-10(16)4-5-13-11(20)14-7-2-3-8(12)9(6-7)15(17)18/h2-3,6H,4-5H2,1H3,(H2,13,14,20)