methyl 2-(2-nitrophenyl)-4-oxidanylidene-octanoate

Systemtic Name: methyl 2-(2-nitrophenyl)-4-oxidanylidene-octanoate Openeye Name: methyl 2-(2-nitrophenyl)-4-oxo-octanoate CAS Name: 2-(2-nitrophenyl)-4-oxooctanoic acid methyl ester IUPAC Name: methyl 2-(2-nitrophenyl)-4-oxooctanoate Traditional Name: 4-keto-2-(2-nitrophenyl)caprylic acid methyl ester Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO5/c1-3-4-7-11(17)10-13(15(18)21-2)12-8-5-6-9-14(12)16(19)20/h5-6,8-9,13H,3-4,7,10H2,1-2H3