butyl 4-(4-chloranyl-3-nitro-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: butyl 4-(4-chloranyl-3-nitro-phenyl)-4-oxidanylidene-butanoate Openeye Name: butyl 4-(4-chloro-3-nitro-phenyl)-4-oxo-butanoate CAS Name: 4-(4-chloro-3-nitrophenyl)-4-oxobutanoic acid butyl ester IUPAC Name: butyl 4-(4-chloro-3-nitrophenyl)-4-oxobutanoate Traditional Name: 4-(4-chloro-3-nitro-phenyl)-4-keto-butyric acid butyl ester Formula: C14H16ClNO5 MolecularWeight: 313.73354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClNO5/c1-2-3-8-21-14(18)7-6-13(17)10-4-5-11(15)12(9-10)16(19)20/h4-5,9H,2-3,6-8H2,1H3