ethyl 3-(nitromethyl)-5-oxidanylidene-5-(1-phenylethylamino)pentanoate

Systemtic Name: ethyl 3-(nitromethyl)-5-oxidanylidene-5-(1-phenylethylamino)pentanoate Openeye Name: ethyl 3-(nitromethyl)-5-oxo-5-(1-phenylethylamino)pentanoate CAS Name: 3-(nitromethyl)-5-oxo-5-(1-phenylethylamino)pentanoic acid ethyl ester IUPAC Name: ethyl 3-(nitromethyl)-5-oxo-5-(1-phenylethylamino)pentanoate Traditional Name: 5-keto-3-(nitromethyl)-5-(1-phenylethylamino)valeric acid ethyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-3-23-16(20)10-13(11-18(21)22)9-15(19)17-12(2)14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3,(H,17,19)