2-(2-chloranyl-4-methoxy-phenyl)-4-(pyridin-1-ium-3-ylmethylidene)-1,3-oxazol-5-one

Systemtic Name: 2-(2-chloranyl-4-methoxy-phenyl)-4-(pyridin-1-ium-3-ylmethylidene)-1,3-oxazol-5-one Openeye Name: 2-(2-chloro-4-methoxy-phenyl)-4-(pyridin-1-ium-3-ylmethylene)oxazol-5-one CAS Name: 2-(2-chloro-4-methoxyphenyl)-4-(3-pyridin-1-iumylmethylidene)-5-oxazolone IUPAC Name: 2-(2-chloro-4-methoxyphenyl)-4-(pyridin-1-ium-3-ylmethylidene)-1,3-oxazol-5-one Traditional Name: 2-(2-chloro-4-methoxy-phenyl)-4-(pyridin-1-ium-3-ylmethylene)-2-oxazolin-5-one Formula: C16H12ClN2O3+ MolecularWeight: 315.73108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NC(=CC3=C[NH+]=CC=C3)C(=O)O2)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NC(=CC3=C[NH+]=CC=C3)C(=O)O2)Cl

InChI

InChI=1S/C16H11ClN2O3/c1-21-11-4-5-12(13(17)8-11)15-19-14(16(20)22-15)7-10-3-2-6-18-9-10/h2-9H,1H3/p+1