5-bromanyl-N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-2-methoxy-benzamide Formula: C23H20BrN2O4+ MolecularWeight: 468.3199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=[NH+]2)C3=C(C=C(C=C3)NC(=O)C4=C(C=CC(=C4)Br)OC)O

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=[NH+]2)C3=C(C=C(C=C3)NC(=O)C4=C(C=CC(=C4)Br)OC)O

InChI

InChI=1S/C23H19BrN2O4/c1-12-8-18-21(9-13(12)2)30-23(26-18)16-6-5-15(11-19(16)27)25-22(28)17-10-14(24)4-7-20(17)29-3/h4-11,27H,1-3H3,(H,25,28)/p+1