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

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]-4-methoxy-3-nitro-benzamide Formula: C21H14ClN3O4S MolecularWeight: 439.87156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN3O4S/c1-29-18-9-7-12(11-17(18)25(27)28)20(26)23-16-10-13(6-8-14(16)22)21-24-15-4-2-3-5-19(15)30-21/h2-11H,1H3,(H,23,26)