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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-3-5-6-15(18)14(16(19)22-4-2)11-12-7-9-13(10-8-12)17(20)21/h7-10,14H,3-6,11H2,1-2H3