(E)-1-(4-methoxyphenyl)-3-(3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-methoxyphenyl)-3-(3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-methoxyphenyl)-3-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)prop-2-en-1-one CAS Name: (E)-1-(4-methoxyphenyl)-3-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)-2-propen-1-one IUPAC Name: (E)-1-(4-methoxyphenyl)-3-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-methoxyphenyl)-3-(3-oxidobenzofurazan-3-ium-5-yl)prop-2-en-1-one Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C=CC2=CC3=[N+](ON=C3C=C2)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C=C/C2=CC3=[N+](ON=C3C=C2)[O-]

InChI

InChI=1S/C16H12N2O4/c1-21-13-6-4-12(5-7-13)16(19)9-3-11-2-8-14-15(10-11)18(20)22-17-14/h2-10H,1H3/b9-3+