N-[(E)-[[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-phenyl-methylidene]amino]-4-nitro-benzamide

Systemtic Name: N-[(E)-[[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-phenyl-methylidene]amino]-4-nitro-benzamide Openeye Name: N-[(E)-[(6-methoxy-1,3-benzothiazol-2-yl)azo-phenyl-methylene]amino]-4-nitro-benzamide CAS Name: N-[(E)-[(6-methoxy-1,3-benzothiazol-2-yl)azo-phenylmethylidene]amino]-4-nitrobenzamide IUPAC Name: N-[(E)-[[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-phenylmethylidene]amino]-4-nitrobenzamide Traditional Name: N-[(E)-[(6-methoxy-1,3-benzothiazol-2-yl)azo-phenyl-methylene]amino]-4-nitro-benzamide Formula: C22H16N6O4S MolecularWeight: 460.46524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N=NC(=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N=N/C(=N/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/C4=CC=CC=C4

InChI

InChI=1S/C22H16N6O4S/c1-32-17-11-12-18-19(13-17)33-22(23-18)27-25-20(14-5-3-2-4-6-14)24-26-21(29)15-7-9-16(10-8-15)28(30)31/h2-13H,1H3,(H,26,29)/b24-20+,27-25?