N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-4-nitro-3-oxidanyl-benzamide

Systemtic Name: N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-4-nitro-3-oxidanyl-benzamide Openeye Name: 3-hydroxy-N-[2-[4-(2-methylthiazol-4-yl)phenyl]ethyl]-4-nitro-benzamide CAS Name: 3-hydroxy-N-[2-[4-(2-methyl-4-thiazolyl)phenyl]ethyl]-4-nitrobenzamide IUPAC Name: 3-hydroxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-4-nitrobenzamide Traditional Name: 3-hydroxy-N-[2-[4-(2-methylthiazol-4-yl)phenyl]ethyl]-4-nitro-benzamide Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H17N3O4S/c1-12-21-16(11-27-12)14-4-2-13(3-5-14)8-9-20-19(24)15-6-7-17(22(25)26)18(23)10-15/h2-7,10-11,23H,8-9H2,1H3,(H,20,24)