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

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxy-3-nitro-benzamide Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S/c1-2-29-19-12-9-15(13-18(19)25(27)28)21(26)23-16-10-7-14(8-11-16)22-24-17-5-3-4-6-20(17)30-22/h3-13H,2H2,1H3,(H,23,26)