2-[2-(3-nitrophenyl)ethenyl]-4-(pyridin-1-ium-3-ylmethylidene)-1,3-oxazol-5-one

Systemtic Name: 2-[2-(3-nitrophenyl)ethenyl]-4-(pyridin-1-ium-3-ylmethylidene)-1,3-oxazol-5-one Openeye Name: 2-[2-(3-nitrophenyl)vinyl]-4-(pyridin-1-ium-3-ylmethylene)oxazol-5-one CAS Name: 2-[2-(3-nitrophenyl)ethenyl]-4-(3-pyridin-1-iumylmethylidene)-5-oxazolone IUPAC Name: 2-[2-(3-nitrophenyl)ethenyl]-4-(pyridin-1-ium-3-ylmethylidene)-1,3-oxazol-5-one Traditional Name: 2-[2-(3-nitrophenyl)vinyl]-4-(pyridin-1-ium-3-ylmethylene)-2-oxazolin-5-one Formula: C17H12N3O4+ MolecularWeight: 322.29488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC2=NC(=CC3=C[NH+]=CC=C3)C(=O)O2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC2=NC(=CC3=C[NH+]=CC=C3)C(=O)O2

InChI

InChI=1S/C17H11N3O4/c21-17-15(10-13-4-2-8-18-11-13)19-16(24-17)7-6-12-3-1-5-14(9-12)20(22)23/h1-11H/p+1