[2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [2-[(E)-(carbamothioylhydrazono)methyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C15H11N5O6S MolecularWeight: 389.34274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N5O6S/c16-15(27)18-17-8-9-3-1-2-4-13(9)26-14(21)10-5-11(19(22)23)7-12(6-10)20(24)25/h1-8H,(H3,16,18,27)/b17-8+