N-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-3-nitro-benzamide

Systemtic Name: N-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-3-nitro-benzamide Openeye Name: N-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyleneamino]-3-nitro-benzamide CAS Name: N-[(E)-[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylideneamino]-3-nitrobenzamide IUPAC Name: N-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-3-nitrobenzamide Traditional Name: N-[(E)-[4-[(4-chlorophenyl)thio]-3-nitro-benzylidene]amino]-3-nitro-benzamide Formula: C20H13ClN4O5S MolecularWeight: 456.85902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NN=CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClN4O5S/c21-15-5-7-17(8-6-15)31-19-9-4-13(10-18(19)25(29)30)12-22-23-20(26)14-2-1-3-16(11-14)24(27)28/h1-12H,(H,23,26)/b22-12+