ethyl 5-azanyl-4-cyano-3-(3-nitrophenyl)-5-oxidanylidene-2-propanoyl-pentanoate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(3-nitrophenyl)-5-oxidanylidene-2-propanoyl-pentanoate Openeye Name: ethyl 5-amino-4-cyano-3-(3-nitrophenyl)-5-oxo-2-propanoyl-pentanoate CAS Name: 5-amino-4-cyano-3-(3-nitrophenyl)-5-oxo-2-(1-oxopropyl)pentanoic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(3-nitrophenyl)-5-oxo-2-propanoylpentanoate Traditional Name: 5-amino-4-cyano-5-keto-3-(3-nitrophenyl)-2-propionyl-valeric acid ethyl ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(C1=CC(=CC=C1)[N+](=O)[O-])C(C#N)C(=O)N)C(=O)OCC

Isomeric SMILES

CCC(=O)C(C(C1=CC(=CC=C1)[N+](=O)[O-])C(C#N)C(=O)N)C(=O)OCC

InChI

InChI=1S/C17H19N3O6/c1-3-13(21)15(17(23)26-4-2)14(12(9-18)16(19)22)10-6-5-7-11(8-10)20(24)25/h5-8,12,14-15H,3-4H2,1-2H3,(H2,19,22)