N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenoxy-propanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenoxy-propanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenoxy-propanamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenoxy-propionamide Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c20-15(8-9-23-12-4-2-1-3-5-12)18-16-17-13-7-6-11(19(21)22)10-14(13)24-16/h1-7,10H,8-9H2,(H,17,18,20)