butyl 3-(4-chloranyl-2-nitro-phenyl)-2-cyano-3-oxidanylidene-propanoate

Systemtic Name: butyl 3-(4-chloranyl-2-nitro-phenyl)-2-cyano-3-oxidanylidene-propanoate Openeye Name: butyl 3-(4-chloro-2-nitro-phenyl)-2-cyano-3-oxo-propanoate CAS Name: 3-(4-chloro-2-nitrophenyl)-2-cyano-3-oxopropanoic acid butyl ester IUPAC Name: butyl 3-(4-chloro-2-nitrophenyl)-2-cyano-3-oxopropanoate Traditional Name: 3-(4-chloro-2-nitro-phenyl)-2-cyano-3-keto-propionic acid butyl ester Formula: C14H13ClN2O5 MolecularWeight: 324.71642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C#N)C(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C(C#N)C(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN2O5/c1-2-3-6-22-14(19)11(8-16)13(18)10-5-4-9(15)7-12(10)17(20)21/h4-5,7,11H,2-3,6H2,1H3