sodium 2-(4-carboxy-1,3-dimethyl-pyrido[1,2-a]benzimidazol-2-yl)ethanoate

Systemtic Name: sodium 2-(4-carboxy-1,3-dimethyl-pyrido[1,2-a]benzimidazol-2-yl)ethanoate Openeye Name: sodium 2-(4-carboxy-1,3-dimethyl-pyrido[1,2-a]benzimidazol-2-yl)acetate CAS Name: sodium 2-(4-carboxy-1,3-dimethyl-2-pyrido[1,2-a]benzimidazolyl)acetate IUPAC Name: sodium 2-(4-carboxy-1,3-dimethylpyrido[1,2-a]benzimidazol-2-yl)acetate Traditional Name: sodium 2-(4-carboxy-1,3-dimethyl-pyrido[1,2-a]benzimidazol-2-yl)acetate Formula: C16H13N2NaO4 MolecularWeight: 320.27519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC(=O)[O-])C)C(=O)O.[Na+]

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC(=O)[O-])C)C(=O)O.[Na+]

InChI

InChI=1S/C16H14N2O4.Na/c1-8-10(7-13(19)20)9(2)18-12-6-4-3-5-11(12)17-15(18)14(8)16(21)22;/h3-6H,7H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1