2-[(4-nitrophenyl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: 2-[(4-nitrophenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: 2-[(4-nitrophenyl)methyl]-3-oxo-butanoate CAS Name: 2-[(4-nitrophenyl)methyl]-3-oxobutanoate IUPAC Name: 2-[(4-nitrophenyl)methyl]-3-oxobutanoate Traditional Name: 3-keto-2-(4-nitrobenzyl)butyrate Formula: C11H10NO5- MolecularWeight: 236.2008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H11NO5/c1-7(13)10(11(14)15)6-8-2-4-9(5-3-8)12(16)17/h2-5,10H,6H2,1H3,(H,14,15)/p-1