N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C23H19N3O5S/c1-3-31-20-13-18(26(28)29)15(12-19(20)30-2)22(27)24-16-9-5-4-8-14(16)23-25-17-10-6-7-11-21(17)32-23/h4-13H,3H2,1-2H3,(H,24,27)