N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]-2-oxidanyl-benzamide

Systemtic Name: N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]-2-oxidanyl-benzamide Openeye Name: 2-hydroxy-N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methyleneamino]benzamide CAS Name: 2-hydroxy-N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]phenyl]methylideneamino]benzamide IUPAC Name: 2-hydroxy-N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]benzamide Traditional Name: 2-hydroxy-N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]benzylidene]amino]benzamide Formula: C21H13N5O6S2 MolecularWeight: 495.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NN=CC2=CC(=C(C=C2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC(=C(C=C2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C21H13N5O6S2/c27-17-4-2-1-3-14(17)20(28)24-22-11-12-5-8-18(16(9-12)26(31)32)33-21-23-15-7-6-13(25(29)30)10-19(15)34-21/h1-11,27H,(H,24,28)/b22-11+