methyl N-[(2-nitro-5-oxidanyl-phenyl)carbamothioyl]carbamate

Systemtic Name: methyl N-[(2-nitro-5-oxidanyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(5-hydroxy-2-nitro-phenyl)carbamothioyl]carbamate CAS Name: N-[(5-hydroxy-2-nitroanilino)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(5-hydroxy-2-nitrophenyl)carbamothioyl]carbamate Traditional Name: N-[(5-hydroxy-2-nitro-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C9H9N3O5S MolecularWeight: 271.24986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3O5S/c1-17-9(14)11-8(18)10-6-4-5(13)2-3-7(6)12(15)16/h2-4,13H,1H3,(H2,10,11,14,18)