methyl 5-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-nitro-benzoate

Systemtic Name: methyl 5-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-nitro-benzoate Openeye Name: methyl 5-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-nitro-benzoate CAS Name: 5-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazinyl]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-nitrobenzoate Traditional Name: 5-[4-[2-(4-methoxyphenoxy)ethyl]piperazino]-2-nitro-benzoic acid methyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCN2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)OCCN2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H25N3O6/c1-28-17-4-6-18(7-5-17)30-14-13-22-9-11-23(12-10-22)16-3-8-20(24(26)27)19(15-16)21(25)29-2/h3-8,15H,9-14H2,1-2H3