3-(1,3-benzothiazol-2-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-(2-hydroxy-5-nitro-benzyl)propionamide Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

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