N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-nitro-3-oxidanyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-nitro-3-oxidanyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methyl-4-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methyl-4-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methyl-4-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methyl-4-nitro-benzamide Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H13N3O4S/c1-18(9-15-17-11-4-2-3-5-14(11)24-15)16(21)10-6-7-12(19(22)23)13(20)8-10/h2-8,20H,9H2,1H3