4-[(E)-[(2-nitrophenyl)carbamothioylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[(2-nitrophenyl)carbamothioylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[(2-nitrophenyl)carbamothioylhydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[(2-nitroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[(2-nitrophenyl)carbamothioylhydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[(2-nitrophenyl)thiocarbamoylhydrazono]methyl]benzoic acid Formula: C15H12N4O4S MolecularWeight: 344.34518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)NN=CC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O4S/c20-14(21)11-7-5-10(6-8-11)9-16-18-15(24)17-12-3-1-2-4-13(12)19(22)23/h1-9H,(H,20,21)(H2,17,18,24)/b16-9+