4-(2-azanyl-3-chloranyl-phenyl)sulfanyl-3-nitro-benzoic acid

Systemtic Name: 4-(2-azanyl-3-chloranyl-phenyl)sulfanyl-3-nitro-benzoic acid Openeye Name: 4-(2-amino-3-chloro-phenyl)sulfanyl-3-nitro-benzoic acid CAS Name: 4-[(2-amino-3-chlorophenyl)thio]-3-nitrobenzoic acid IUPAC Name: 4-(2-amino-3-chlorophenyl)sulfanyl-3-nitrobenzoic acid Traditional Name: 4-[(2-amino-3-chloro-phenyl)thio]-3-nitro-benzoic acid Formula: C13H9ClN2O4S MolecularWeight: 324.73956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)N)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)N)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H9ClN2O4S/c14-8-2-1-3-11(12(8)15)21-10-5-4-7(13(17)18)6-9(10)16(19)20/h1-6H,15H2,(H,17,18)