4-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-4-ium-2-yl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-4-ium-2-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-(2-methyl-5-oxazolo[4,5-b]pyridin-4-ium-2-yl-phenyl)-3-nitro-benzamide CAS Name: 4-methyl-N-[2-methyl-5-(2-oxazolo[4,5-b]pyridin-4-iumyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-4-ium-2-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-(2-methyl-5-oxazolo[4,5-b]pyridin-4-ium-2-yl-phenyl)-3-nitro-benzamide Formula: C21H17N4O4+ MolecularWeight: 389.38408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=[NH+]3)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=[NH+]3)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4/c1-12-5-8-15(21-24-19-18(29-21)4-3-9-22-19)10-16(12)23-20(26)14-7-6-13(2)17(11-14)25(27)28/h3-11H,1-2H3,(H,23,26)/p+1