ethyl 6-(hexanoylamino)-4-oxidanylidene-1H-cinnoline-3-carboxylate

Systemtic Name: ethyl 6-(hexanoylamino)-4-oxidanylidene-1H-cinnoline-3-carboxylate Openeye Name: ethyl 6-(hexanoylamino)-4-oxo-1H-cinnoline-3-carboxylate CAS Name: 4-oxo-6-(1-oxohexylamino)-1H-cinnoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(hexanoylamino)-4-oxo-1H-cinnoline-3-carboxylate Traditional Name: 6-(caproylamino)-4-keto-1H-cinnoline-3-carboxylic acid ethyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC2=C(C=C1)NN=C(C2=O)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)NC1=CC2=C(C=C1)NN=C(C2=O)C(=O)OCC

InChI

InChI=1S/C17H21N3O4/c1-3-5-6-7-14(21)18-11-8-9-13-12(10-11)16(22)15(20-19-13)17(23)24-4-2/h8-10H,3-7H2,1-2H3,(H,18,21)(H,19,22)