methyl 5-(3-cyclopentyloxy-4-methoxy-phenyl)-7-nitro-4-oxidanylidene-heptanoate

Systemtic Name: methyl 5-(3-cyclopentyloxy-4-methoxy-phenyl)-7-nitro-4-oxidanylidene-heptanoate Openeye Name: methyl 5-[3-(cyclopentoxy)-4-methoxy-phenyl]-7-nitro-4-oxo-heptanoate CAS Name: 5-(3-cyclopentyloxy-4-methoxyphenyl)-7-nitro-4-oxoheptanoic acid methyl ester IUPAC Name: methyl 5-(3-cyclopentyloxy-4-methoxyphenyl)-7-nitro-4-oxoheptanoate Traditional Name: 5-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-keto-7-nitro-enanthic acid methyl ester Formula: C20H27NO7 MolecularWeight: 393.43088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC[N+](=O)[O-])C(=O)CCC(=O)OC)OC2CCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC[N+](=O)[O-])C(=O)CCC(=O)OC)OC2CCCC2

InChI

InChI=1S/C20H27NO7/c1-26-18-9-7-14(13-19(18)28-15-5-3-4-6-15)16(11-12-21(24)25)17(22)8-10-20(23)27-2/h7,9,13,15-16H,3-6,8,10-12H2,1-2H3