N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylmethoxy-benzamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4S/c25-20(23-21-22-18-10-9-16(24(26)27)12-19(18)29-21)15-7-4-8-17(11-15)28-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23,25)