5-nitro-3-[(2-sulfanylphenyl)amino]indol-2-one

Systemtic Name: 5-nitro-3-[(2-sulfanylphenyl)amino]indol-2-one Openeye Name: 5-nitro-3-(2-sulfanylanilino)indol-2-one CAS Name: 3-(2-mercaptoanilino)-5-nitro-2-indolone IUPAC Name: 5-nitro-3-(2-sulfanylanilino)indol-2-one Traditional Name: 3-(2-mercaptoanilino)-5-nitro-indol-2-one Formula: C14H9N3O3S MolecularWeight: 299.30456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])S

Isomeric SMILES

C1=CC=C(C(=C1)NC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])S

InChI

InChI=1S/C14H9N3O3S/c18-14-13(15-11-3-1-2-4-12(11)21)9-7-8(17(19)20)5-6-10(9)16-14/h1-7,21H,(H,15,16,18)