sodium 4-cyano-3-oxidanylidene-7-(phenylmethyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-1-olate

Systemtic Name: sodium 4-cyano-3-oxidanylidene-7-(phenylmethyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-1-olate Openeye Name: sodium 7-benzyl-4-cyano-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridin-1-olate CAS Name: sodium 4-cyano-3-oxo-7-(phenylmethyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-1-olate IUPAC Name: sodium 7-benzyl-4-cyano-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridin-1-olate Traditional Name: sodium 7-benzyl-4-cyano-3-keto-2,5,6,8-tetrahydro-2,7-naphthyridin-1-olate Formula: C16H14N3NaO2 MolecularWeight: 303.29103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C(NC(=O)C(=C21)C#N)[O-])CC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1CN(CC2=C(NC(=O)C(=C21)C#N)[O-])CC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C16H15N3O2.Na/c17-8-13-12-6-7-19(9-11-4-2-1-3-5-11)10-14(12)16(21)18-15(13)20;/h1-5H,6-7,9-10H2,(H2,18,20,21);/q;+1/p-1