methyl 4-[(Z)-[(2-nitrophenyl)carbamothioylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(Z)-[(2-nitrophenyl)carbamothioylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(Z)-[(2-nitrophenyl)carbamothioylhydrazono]methyl]benzoate CAS Name: 4-[(Z)-[[(2-nitroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[(2-nitrophenyl)carbamothioylhydrazinylidene]methyl]benzoate Traditional Name: 4-[(Z)-[(2-nitrophenyl)thiocarbamoylhydrazono]methyl]benzoic acid methyl ester Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O4S/c1-24-15(21)12-8-6-11(7-9-12)10-17-19-16(25)18-13-4-2-3-5-14(13)20(22)23/h2-10H,1H3,(H2,18,19,25)/b17-10-