methyl 5-azanyl-4-cyano-2-ethanoyl-3-(3-nitrophenyl)-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-azanyl-4-cyano-2-ethanoyl-3-(3-nitrophenyl)-5-oxidanylidene-pentanoate Openeye Name: methyl 2-acetyl-5-amino-4-cyano-3-(3-nitrophenyl)-5-oxo-pentanoate CAS Name: 2-acetyl-5-amino-4-cyano-3-(3-nitrophenyl)-5-oxopentanoic acid methyl ester IUPAC Name: methyl 2-acetyl-5-amino-4-cyano-3-(3-nitrophenyl)-5-oxopentanoate Traditional Name: 2-acetyl-5-amino-4-cyano-5-keto-3-(3-nitrophenyl)valeric acid methyl ester Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O6/c1-8(19)12(15(21)24-2)13(11(7-16)14(17)20)9-4-3-5-10(6-9)18(22)23/h3-6,11-13H,1-2H3,(H2,17,20)