2-[2-nitro-1-(3-nitrophenyl)ethyl]sulfanylaniline

Systemtic Name: 2-[2-nitro-1-(3-nitrophenyl)ethyl]sulfanylaniline Openeye Name: 2-[2-nitro-1-(3-nitrophenyl)ethyl]sulfanylaniline CAS Name: 2-[[2-nitro-1-(3-nitrophenyl)ethyl]thio]aniline IUPAC Name: 2-[2-nitro-1-(3-nitrophenyl)ethyl]sulfanylaniline Traditional Name: [2-[[2-nitro-1-(3-nitrophenyl)ethyl]thio]phenyl]amine Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4S/c15-12-6-1-2-7-13(12)22-14(9-16(18)19)10-4-3-5-11(8-10)17(20)21/h1-8,14H,9,15H2