N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-4-ethoxy-3-nitro-benzamide Formula: C22H18N3O6+ MolecularWeight: 420.39482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=CC=CC=C4O3)O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=CC=CC=C4O3)O)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O6/c1-2-30-20-10-7-13(11-17(20)25(28)29)21(27)23-14-8-9-15(18(26)12-14)22-24-16-5-3-4-6-19(16)31-22/h3-12,26H,2H2,1H3,(H,23,27)/p+1