1-(2-hydroxyethyl)-6-[(3-nitrophenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(2-hydroxyethyl)-6-[(3-nitrophenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2-hydroxyethyl)-6-[(3-nitrophenyl)methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2-hydroxyethyl)-6-[(3-nitrophenyl)methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2-hydroxyethyl)-6-[(3-nitrophenyl)methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2-hydroxyethyl)-4-keto-6-(3-nitrobenzyl)quinoline-3-carboxylic acid Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

InChI

InChI=1S/C19H16N2O6/c22-7-6-20-11-16(19(24)25)18(23)15-10-13(4-5-17(15)20)8-12-2-1-3-14(9-12)21(26)27/h1-5,9-11,22H,6-8H2,(H,24,25)