6-butoxy-1-oxidanylidene-4H-4,7-phenanthroline-3-carboxylic acid

Systemtic Name: 6-butoxy-1-oxidanylidene-4H-4,7-phenanthroline-3-carboxylic acid Openeye Name: 6-butoxy-1-oxo-4H-4,7-phenanthroline-3-carboxylic acid CAS Name: 6-butoxy-1-oxo-4H-4,7-phenanthroline-3-carboxylic acid IUPAC Name: 6-butoxy-1-oxo-4H-4,7-phenanthroline-3-carboxylic acid Traditional Name: 6-butoxy-1-keto-4H-4,7-phenanthroline-3-carboxylic acid Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C2C(=C3C(=C1)NC(=CC3=O)C(=O)O)C=CC=N2

Isomeric SMILES

CCCCOC1=C2C(=C3C(=C1)NC(=CC3=O)C(=O)O)C=CC=N2

InChI

InChI=1S/C17H16N2O4/c1-2-3-7-23-14-9-11-15(10-5-4-6-18-16(10)14)13(20)8-12(19-11)17(21)22/h4-6,8-9H,2-3,7H2,1H3,(H,19,20)(H,21,22)