methyl 2-[4-(2-methylprop-2-enoxy)-3-nitro-phenyl]pentanoate

Systemtic Name: methyl 2-[4-(2-methylprop-2-enoxy)-3-nitro-phenyl]pentanoate Openeye Name: methyl 2-[4-(2-methylallyloxy)-3-nitro-phenyl]pentanoate CAS Name: 2-[4-(2-methylprop-2-enoxy)-3-nitrophenyl]pentanoic acid methyl ester IUPAC Name: methyl 2-[4-(2-methylprop-2-enoxy)-3-nitrophenyl]pentanoate Traditional Name: 2-[4-(2-methylallyloxy)-3-nitro-phenyl]valeric acid methyl ester Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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