2-[4-[(2-chloranyl-4-nitro-phenyl)carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(2-chloranyl-4-nitro-phenyl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(2-chloro-4-nitro-phenyl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(2-chloro-4-nitrophenyl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(2-chloro-4-nitro-phenyl)thiocarbamoylamino]phenyl]acetic acid Formula: C15H12ClN3O4S MolecularWeight: 365.79148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H12ClN3O4S/c16-12-8-11(19(22)23)5-6-13(12)18-15(24)17-10-3-1-9(2-4-10)7-14(20)21/h1-6,8H,7H2,(H,20,21)(H2,17,18,24)