methyl 3-nitro-2-(2-oxidanylidenepropyl)-5-phenyl-pentanoate

Systemtic Name: methyl 3-nitro-2-(2-oxidanylidenepropyl)-5-phenyl-pentanoate Openeye Name: methyl 2-acetonyl-3-nitro-5-phenyl-pentanoate CAS Name: 3-nitro-2-(2-oxopropyl)-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 3-nitro-2-(2-oxopropyl)-5-phenylpentanoate Traditional Name: 2-acetonyl-3-nitro-5-phenyl-valeric acid methyl ester Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C(CCC1=CC=CC=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)CC(C(CCC1=CC=CC=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H19NO5/c1-11(17)10-13(15(18)21-2)14(16(19)20)9-8-12-6-4-3-5-7-12/h3-7,13-14H,8-10H2,1-2H3