methyl N-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]carbamate

Systemtic Name: methyl N-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]carbamate Openeye Name: methyl N-[(2-chloro-5-nitro-phenyl)carbamothioylamino]carbamate CAS Name: N-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[(2-chloro-5-nitrophenyl)carbamothioylamino]carbamate Traditional Name: N-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]carbamic acid methyl ester Formula: C9H9ClN4O4S MolecularWeight: 304.71016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9ClN4O4S/c1-18-9(15)13-12-8(19)11-7-4-5(14(16)17)2-3-6(7)10/h2-4H,1H3,(H,13,15)(H2,11,12,19)