5-[4-(4-chloranyl-3-nitro-phenyl)sulfanylphenyl]-6-nitro-cyclohexa-1,5-dien-1-amine

Systemtic Name: 5-[4-(4-chloranyl-3-nitro-phenyl)sulfanylphenyl]-6-nitro-cyclohexa-1,5-dien-1-amine Openeye Name: 5-[4-(4-chloro-3-nitro-phenyl)sulfanylphenyl]-6-nitro-cyclohexa-1,5-dien-1-amine CAS Name: 5-[4-[(4-chloro-3-nitrophenyl)thio]phenyl]-6-nitro-1-cyclohexa-1,5-dienamine IUPAC Name: 5-[4-(4-chloro-3-nitrophenyl)sulfanylphenyl]-6-nitrocyclohexa-1,5-dien-1-amine Traditional Name: [5-[4-[(4-chloro-3-nitro-phenyl)thio]phenyl]-6-nitro-cyclohexa-1,5-dien-1-yl]amine Formula: C18H14ClN3O4S MolecularWeight: 403.83946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=C1)N)[N+](=O)[O-])C2=CC=C(C=C2)SC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC(=C(C(=C1)N)[N+](=O)[O-])C2=CC=C(C=C2)SC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN3O4S/c19-15-9-8-13(10-17(15)21(23)24)27-12-6-4-11(5-7-12)14-2-1-3-16(20)18(14)22(25)26/h3-10H,1-2,20H2