sodium 2-[1-azanyl-8-(hydroxymethyl)-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxidanyl-butanoate

Systemtic Name: sodium 2-[1-azanyl-8-(hydroxymethyl)-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxidanyl-butanoate Openeye Name: sodium 2-[1-amino-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxy-butanoate CAS Name: sodium 2-[1-amino-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoate IUPAC Name: sodium 2-[1-amino-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoate Traditional Name: sodium 2-(1-amino-9-keto-8-methylol-11H-indolizino[1,2-b]quinolin-7-yl)-2-hydroxy-butyrate Formula: C20H18N3NaO5 MolecularWeight: 403.36379

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=O)N2CC3=C(C2=C1)N=C4C=CC=C(C4=C3)N)CO)(C(=O)[O-])O.[Na+]

Isomeric SMILES

CCC(C1=C(C(=O)N2CC3=C(C2=C1)N=C4C=CC=C(C4=C3)N)CO)(C(=O)[O-])O.[Na+]

InChI

InChI=1S/C20H19N3O5.Na/c1-2-20(28,19(26)27)13-7-16-17-10(8-23(16)18(25)12(13)9-24)6-11-14(21)4-3-5-15(11)22-17;/h3-7,24,28H,2,8-9,21H2,1H3,(H,26,27);/q;+1/p-1