ethyl 2-(2,4-dinitrophenyl)-6-oxidanylidene-6-(1-phenylethylamino)hexanoate

Systemtic Name: ethyl 2-(2,4-dinitrophenyl)-6-oxidanylidene-6-(1-phenylethylamino)hexanoate Openeye Name: ethyl 2-(2,4-dinitrophenyl)-6-oxo-6-(1-phenylethylamino)hexanoate CAS Name: 2-(2,4-dinitrophenyl)-6-oxo-6-(1-phenylethylamino)hexanoic acid ethyl ester IUPAC Name: ethyl 2-(2,4-dinitrophenyl)-6-oxo-6-(1-phenylethylamino)hexanoate Traditional Name: 2-(2,4-dinitrophenyl)-6-keto-6-(1-phenylethylamino)hexanoic acid ethyl ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC(=O)NC(C)C1=CC=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CCCC(=O)NC(C)C1=CC=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O7/c1-3-32-22(27)19(18-13-12-17(24(28)29)14-20(18)25(30)31)10-7-11-21(26)23-15(2)16-8-5-4-6-9-16/h4-6,8-9,12-15,19H,3,7,10-11H2,1-2H3,(H,23,26)