methyl 2-(3-nitro-4-prop-2-ynoxy-phenyl)pentanoate

Systemtic Name: methyl 2-(3-nitro-4-prop-2-ynoxy-phenyl)pentanoate Openeye Name: methyl 2-(3-nitro-4-prop-2-ynoxy-phenyl)pentanoate CAS Name: 2-(3-nitro-4-prop-2-ynoxyphenyl)pentanoic acid methyl ester IUPAC Name: methyl 2-(3-nitro-4-prop-2-ynoxyphenyl)pentanoate Traditional Name: 2-(3-nitro-4-propargyloxy-phenyl)valeric acid methyl ester Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO5/c1-4-6-12(15(17)20-3)11-7-8-14(21-9-5-2)13(10-11)16(18)19/h2,7-8,10,12H,4,6,9H2,1,3H3