8-[butyl(methyl)carbamoyl]-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid

Systemtic Name: 8-[butyl(methyl)carbamoyl]-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid Openeye Name: 8-[butyl(methyl)carbamoyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid CAS Name: 8-[[butyl(methyl)amino]-oxomethyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid IUPAC Name: 8-[butyl(methyl)carbamoyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid Traditional Name: 8-[butyl(methyl)carbamoyl]-4-keto-3H-1,10-phenanthroline-3-carboxylic acid Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=CN=C2C(=C1)C=CC3=C2N=CC(C3=O)C(=O)O

Isomeric SMILES

CCCCN(C)C(=O)C1=CN=C2C(=C1)C=CC3=C2N=CC(C3=O)C(=O)O

InChI

InChI=1S/C19H19N3O4/c1-3-4-7-22(2)18(24)12-8-11-5-6-13-16(15(11)20-9-12)21-10-14(17(13)23)19(25)26/h5-6,8-10,14H,3-4,7H2,1-2H3,(H,25,26)