methyl 3-[(4-nitro-2-oxidanyl-phenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(4-nitro-2-oxidanyl-phenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(2-hydroxy-4-nitro-phenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-hydroxy-4-nitrophenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(2-hydroxy-4-nitro-phenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H13N3O6S/c1-25-15(22)10-4-2-3-9(7-10)14(21)18-16(26)17-12-6-5-11(19(23)24)8-13(12)20/h2-8,20H,1H3,(H2,17,18,21,26)