2-azanyl-2-(hydroxymethyl)propane-1,3-diol; 2-(3-fluorophenyl)-6-methoxy-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-2-(hydroxymethyl)propane-1,3-diol; 2-(3-fluorophenyl)-6-methoxy-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 2-(3-fluorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 2-(3-fluorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 2-(3-fluorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 2-amino-2-methylol-propane-1,3-diol; 2-(3-fluorophenyl)-4-keto-6-methoxy-1H-quinoline-3-carboxylic acid Formula: C21H23FN2O7 MolecularWeight: 434.414923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)O)C3=CC(=CC=C3)F.C(C(CO)(CO)N)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)O)C3=CC(=CC=C3)F.C(C(CO)(CO)N)O

InChI

InChI=1S/C17H12FNO4.C4H11NO3/c1-23-11-5-6-13-12(8-11)16(20)14(17(21)22)15(19-13)9-3-2-4-10(18)7-9;5-4(1-6,2-7)3-8/h2-8H,1H3,(H,19,20)(H,21,22);6-8H,1-3,5H2