8-[3-[bis(carboxymethyl)amino]phenoxy]-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 8-[3-[bis(carboxymethyl)amino]phenoxy]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-[3-[bis(carboxymethyl)amino]phenoxy]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 8-[3-[bis(carboxymethyl)amino]phenoxy]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 8-[3-[bis(carboxymethyl)amino]phenoxy]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-[3-[bis(carboxymethyl)amino]phenoxy]-4-keto-quinolizine-3-carboxylic acid Formula: C20H16N2O8 MolecularWeight: 412.34964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC3=CC=C(C(=O)N3C=C2)C(=O)O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC3=CC=C(C(=O)N3C=C2)C(=O)O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C20H16N2O8/c23-17(24)10-21(11-18(25)26)12-2-1-3-14(8-12)30-15-6-7-22-13(9-15)4-5-16(19(22)27)20(28)29/h1-9H,10-11H2,(H,23,24)(H,25,26)(H,28,29)