N-(4-isothiocyanatophenyl)-3-nitro-aniline

Systemtic Name: N-(4-isothiocyanatophenyl)-3-nitro-aniline Openeye Name: N-(4-isothiocyanatophenyl)-3-nitro-aniline CAS Name: N-(4-isothiocyanatophenyl)-3-nitroaniline IUPAC Name: N-(4-isothiocyanatophenyl)-3-nitroaniline Traditional Name: (4-isothiocyanatophenyl)-(3-nitrophenyl)amine Formula: C13H9N3O2S MolecularWeight: 271.29446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O2S/c17-16(18)13-3-1-2-12(8-13)15-11-6-4-10(5-7-11)14-9-19/h1-8,15H