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

Systemtic Name: 8-[(4-ethoxyphenyl)carbamoyl]-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid Openeye Name: 8-[(4-ethoxyphenyl)carbamoyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid CAS Name: 8-[(4-ethoxyanilino)-oxomethyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid IUPAC Name: 8-[(4-ethoxyphenyl)carbamoyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid Traditional Name: 4-keto-8-(p-phenetylcarbamoyl)-3H-1,10-phenanthroline-3-carboxylic acid Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2)C=CC4=C3N=CC(C4=O)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2)C=CC4=C3N=CC(C4=O)C(=O)O

InChI

InChI=1S/C22H17N3O5/c1-2-30-15-6-4-14(5-7-15)25-21(27)13-9-12-3-8-16-19(18(12)23-10-13)24-11-17(20(16)26)22(28)29/h3-11,17H,2H2,1H3,(H,25,27)(H,28,29)