methyl N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]carbamate

Systemtic Name: methyl N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-chloro-4-nitro-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-chloro-4-nitrophenyl)carbamothioyl]carbamate Traditional Name: N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C9H8ClN3O4S MolecularWeight: 289.69552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8ClN3O4S/c1-17-9(14)12-8(18)11-7-3-2-5(13(15)16)4-6(7)10/h2-4H,1H3,(H2,11,12,14,18)