5-ethoxy-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitro-benzamide

Systemtic Name: 5-ethoxy-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitro-benzamide Openeye Name: 5-ethoxy-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitro-benzamide CAS Name: 5-ethoxy-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide IUPAC Name: 5-ethoxy-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide Traditional Name: 5-ethoxy-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitro-benzamide Formula: C18H17N3O5S MolecularWeight: 387.40968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)C)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N3O5S/c1-4-26-16-8-12(14(21(23)24)9-15(16)25-3)18(22)20-11-5-6-13-17(7-11)27-10(2)19-13/h5-9H,4H2,1-3H3,(H,20,22)