2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylbenzoic acid

Systemtic Name: 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylbenzoic acid Openeye Name: 2-(4-carbamoyl-2-nitro-phenyl)sulfanylbenzoic acid CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]benzoic acid IUPAC Name: 2-(4-carbamoyl-2-nitrophenyl)sulfanylbenzoic acid Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]benzoic acid Formula: C14H10N2O5S MolecularWeight: 318.3046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O5S/c15-13(17)8-5-6-12(10(7-8)16(20)21)22-11-4-2-1-3-9(11)14(18)19/h1-7H,(H2,15,17)(H,18,19)