2-[[4-(4-nitrophenyl)sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-(4-nitrophenyl)sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-(4-nitrophenyl)sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[(4-nitrophenyl)thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-(4-nitrophenyl)sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[(4-nitrophenyl)thio]phenyl]carbamoyl]benzoic acid Formula: C20H14N2O5S MolecularWeight: 394.40056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H14N2O5S/c23-19(17-3-1-2-4-18(17)20(24)25)21-13-5-9-15(10-6-13)28-16-11-7-14(8-12-16)22(26)27/h1-12H,(H,21,23)(H,24,25)