N-[3-(1,3-benzothiazol-2-yl)propyl]-4-nitro-3-oxidanyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-nitro-3-oxidanyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-hydroxy-4-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-hydroxy-4-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-hydroxy-4-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-hydroxy-4-nitro-benzamide Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H15N3O4S/c21-14-10-11(7-8-13(14)20(23)24)17(22)18-9-3-6-16-19-12-4-1-2-5-15(12)25-16/h1-2,4-5,7-8,10,21H,3,6,9H2,(H,18,22)