N-(2-chloranyl-4-nitro-phenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine Openeye Name: N-(2-chloro-4-nitro-phenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine CAS Name: N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine IUPAC Name: N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine Traditional Name: 3-(2-chloro-4-nitro-anilino)propyl-(6-nitro-1,3-benzothiazol-2-yl)amine Formula: C16H14ClN5O4S MolecularWeight: 407.83146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NCCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NCCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H14ClN5O4S/c17-12-8-10(21(23)24)2-4-13(12)18-6-1-7-19-16-20-14-5-3-11(22(25)26)9-15(14)27-16/h2-5,8-9,18H,1,6-7H2,(H,19,20)