4-[[2,3-bis(chloranyl)-6-sulfanyl-phenyl]-methanoyl-amino]-3-nitro-benzoic acid

Systemtic Name: 4-[[2,3-bis(chloranyl)-6-sulfanyl-phenyl]-methanoyl-amino]-3-nitro-benzoic acid Openeye Name: 4-(2,3-dichloro-N-formyl-6-sulfanyl-anilino)-3-nitro-benzoic acid CAS Name: 4-(2,3-dichloro-N-formyl-6-mercaptoanilino)-3-nitrobenzoic acid IUPAC Name: 4-(2,3-dichloro-N-formyl-6-sulfanylanilino)-3-nitrobenzoic acid Traditional Name: 4-(2,3-dichloro-N-formyl-6-mercapto-anilino)-3-nitro-benzoic acid Formula: C14H8Cl2N2O5S MolecularWeight: 387.19472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N(C=O)C2=C(C=CC(=C2Cl)Cl)S

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N(C=O)C2=C(C=CC(=C2Cl)Cl)S

InChI

InChI=1S/C14H8Cl2N2O5S/c15-8-2-4-11(24)13(12(8)16)17(6-19)9-3-1-7(14(20)21)5-10(9)18(22)23/h1-6,24H,(H,20,21)