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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

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