2-[4-(2-aminophenyl)sulfanyl-3-nitro-phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-(2-aminophenyl)sulfanyl-3-nitro-phenyl]carbonylbenzoic acid Openeye Name: 2-[4-(2-aminophenyl)sulfanyl-3-nitro-benzoyl]benzoic acid CAS Name: 2-[[4-[(2-aminophenyl)thio]-3-nitrophenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-(2-aminophenyl)sulfanyl-3-nitrobenzoyl]benzoic acid Traditional Name: 2-[4-[(2-aminophenyl)thio]-3-nitro-benzoyl]benzoic acid Formula: C20H14N2O5S MolecularWeight: 394.40056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3N)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3N)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H14N2O5S/c21-15-7-3-4-8-17(15)28-18-10-9-12(11-16(18)22(26)27)19(23)13-5-1-2-6-14(13)20(24)25/h1-11H,21H2,(H,24,25)