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

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2,4-bis(chloranyl)phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichloro-phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichloro-phenyl]-4-ethoxy-3-nitro-benzamide Formula: C22H15Cl2N3O4S MolecularWeight: 488.3432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15Cl2N3O4S/c1-2-31-19-8-7-12(9-18(19)27(29)30)21(28)25-17-10-13(14(23)11-15(17)24)22-26-16-5-3-4-6-20(16)32-22/h3-11H,2H2,1H3,(H,25,28)