ethyl (8S)-2-azanyl-3-cyano-5,7-bis(oxidanylidene)-8H-1,6-naphthyridin-1-ium-8-carboxylate

Systemtic Name: ethyl (8S)-2-azanyl-3-cyano-5,7-bis(oxidanylidene)-8H-1,6-naphthyridin-1-ium-8-carboxylate Openeye Name: ethyl (8S)-2-amino-3-cyano-5,7-dioxo-8H-1,6-naphthyridin-1-ium-8-carboxylate CAS Name: (8S)-2-amino-3-cyano-5,7-dioxo-8H-1,6-naphthyridin-1-ium-8-carboxylic acid ethyl ester IUPAC Name: ethyl (8S)-2-amino-3-cyano-5,7-dioxo-8H-1,6-naphthyridin-1-ium-8-carboxylate Traditional Name: (8S)-2-amino-3-cyano-5,7-diketo-8H-1,6-naphthyridin-1-ium-8-carboxylic acid ethyl ester Formula: C12H11N4O4+ MolecularWeight: 275.24014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2=C(C=C(C(=[NH+]2)N)C#N)C(=O)NC1=O

Isomeric SMILES

CCOC(=O)[C@H]1C2=C(C=C(C(=[NH+]2)N)C#N)C(=O)NC1=O

InChI

InChI=1S/C12H10N4O4/c1-2-20-12(19)7-8-6(10(17)16-11(7)18)3-5(4-13)9(14)15-8/h3,7H,2H2,1H3,(H2,14,15)(H,16,17,18)/p+1/t7-/m0/s1