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

Systemtic Name: 4-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-4-ium-2-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-(2-methyl-3-oxazolo[4,5-b]pyridin-4-ium-2-yl-phenyl)-3-nitro-benzamide CAS Name: 4-ethoxy-N-[2-methyl-3-(2-oxazolo[4,5-b]pyridin-4-iumyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-4-ium-2-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-(2-methyl-3-oxazolo[4,5-b]pyridin-4-ium-2-yl-phenyl)-3-nitro-benzamide Formula: C22H19N4O5+ MolecularWeight: 419.41006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC=[NH+]4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC=[NH+]4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5/c1-3-30-18-10-9-14(12-17(18)26(28)29)21(27)24-16-7-4-6-15(13(16)2)22-25-20-19(31-22)8-5-11-23-20/h4-12H,3H2,1-2H3,(H,24,27)/p+1