methyl 4-[2-(4-nitrophenyl)ethyl]-3-oxidanylidene-heptanoate

Systemtic Name: methyl 4-[2-(4-nitrophenyl)ethyl]-3-oxidanylidene-heptanoate Openeye Name: methyl 4-[2-(4-nitrophenyl)ethyl]-3-oxo-heptanoate CAS Name: 4-[2-(4-nitrophenyl)ethyl]-3-oxoheptanoic acid methyl ester IUPAC Name: methyl 4-[2-(4-nitrophenyl)ethyl]-3-oxoheptanoate Traditional Name: 3-keto-4-[2-(4-nitrophenyl)ethyl]enanthic acid methyl ester Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-3-4-13(15(18)11-16(19)22-2)8-5-12-6-9-14(10-7-12)17(20)21/h6-7,9-10,13H,3-5,8,11H2,1-2H3