4-[3-azanyl-5-(2-cyanophenoxy)-4-nitro-phenyl]sulfanylbenzoic acid

Systemtic Name: 4-[3-azanyl-5-(2-cyanophenoxy)-4-nitro-phenyl]sulfanylbenzoic acid Openeye Name: 4-[3-amino-5-(2-cyanophenoxy)-4-nitro-phenyl]sulfanylbenzoic acid CAS Name: 4-[[3-amino-5-(2-cyanophenoxy)-4-nitrophenyl]thio]benzoic acid IUPAC Name: 4-[3-amino-5-(2-cyanophenoxy)-4-nitrophenyl]sulfanylbenzoic acid Traditional Name: 4-[[3-amino-5-(2-cyanophenoxy)-4-nitro-phenyl]thio]benzoic acid Formula: C20H13N3O5S MolecularWeight: 407.39932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OC2=C(C(=CC(=C2)SC3=CC=C(C=C3)C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OC2=C(C(=CC(=C2)SC3=CC=C(C=C3)C(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H13N3O5S/c21-11-13-3-1-2-4-17(13)28-18-10-15(9-16(22)19(18)23(26)27)29-14-7-5-12(6-8-14)20(24)25/h1-10H,22H2,(H,24,25)