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

Systemtic Name: methyl 4-methyl-2-[(2-nitrophenyl)methyl]-3-oxidanylidene-pentanoate Openeye Name: methyl 4-methyl-2-[(2-nitrophenyl)methyl]-3-oxo-pentanoate CAS Name: 4-methyl-2-[(2-nitrophenyl)methyl]-3-oxopentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(2-nitrophenyl)methyl]-3-oxopentanoate Traditional Name: 3-keto-4-methyl-2-(2-nitrobenzyl)valeric acid methyl ester Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-9(2)13(16)11(14(17)20-3)8-10-6-4-5-7-12(10)15(18)19/h4-7,9,11H,8H2,1-3H3