1-[3-[2-(1-oxidanidylpyridin-1-ium-3-yl)ethynyl]phenyl]-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 1-[3-[2-(1-oxidanidylpyridin-1-ium-3-yl)ethynyl]phenyl]-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid Openeye Name: 1-[3-[2-(1-oxidopyridin-1-ium-3-yl)ethynyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid CAS Name: 1-[3-[2-(1-oxido-3-pyridin-1-iumyl)ethynyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 1-[3-[2-(1-oxidopyridin-1-ium-3-yl)ethynyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid Traditional Name: 4-keto-1-[3-[2-(1-oxidopyridin-1-ium-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxylic acid Formula: C22H13N3O4 MolecularWeight: 383.35632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=C(C(=O)C3=C2N=CC=C3)C(=O)O)C#CC4=C[N+](=CC=C4)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N2C=C(C(=O)C3=C2N=CC=C3)C(=O)O)C#CC4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C22H13N3O4/c26-20-18-7-2-10-23-21(18)25(14-19(20)22(27)28)17-6-1-4-15(12-17)8-9-16-5-3-11-24(29)13-16/h1-7,10-14H,(H,27,28)