N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]-4-nitro-benzamide

Systemtic Name: N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]-4-nitro-benzamide Openeye Name: N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methyleneamino]-4-nitro-benzamide CAS Name: N-[(E)-[4-(2-hydroxyethylthio)-3-nitrophenyl]methylideneamino]-4-nitrobenzamide IUPAC Name: N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]-4-nitrobenzamide Traditional Name: N-[(E)-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]amino]-4-nitro-benzamide Formula: C16H14N4O6S MolecularWeight: 390.37056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NN=CC2=CC(=C(C=C2)SCCO)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)N/N=C/C2=CC(=C(C=C2)SCCO)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O6S/c21-7-8-27-15-6-1-11(9-14(15)20(25)26)10-17-18-16(22)12-2-4-13(5-3-12)19(23)24/h1-6,9-10,21H,7-8H2,(H,18,22)/b17-10+