4-[2-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]hydrazinyl]benzoic acid

Systemtic Name: 4-[2-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]hydrazinyl]benzoic acid Openeye Name: 4-[2-[(2-chloro-5-nitro-phenyl)carbamothioyl]hydrazino]benzoic acid CAS Name: 4-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]hydrazo]benzoic acid IUPAC Name: 4-[2-[(2-chloro-5-nitrophenyl)carbamothioyl]hydrazinyl]benzoic acid Traditional Name: 4-[N'-[(2-chloro-5-nitro-phenyl)thiocarbamoyl]hydrazino]benzoic acid Formula: C14H11ClN4O4S MolecularWeight: 366.77954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H11ClN4O4S/c15-11-6-5-10(19(22)23)7-12(11)16-14(24)18-17-9-3-1-8(2-4-9)13(20)21/h1-7,17H,(H,20,21)(H2,16,18,24)