N-(1,3-benzothiazol-2-yl)-2-chloranyl-N-(4-methoxyphenyl)-4-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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