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

Systemtic Name: methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(2-methoxyphenyl)piperazino]-5-nitro-benzoic acid methyl ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H21N3O5/c1-26-18-6-4-3-5-17(18)21-11-9-20(10-12-21)16-8-7-14(22(24)25)13-15(16)19(23)27-2/h3-8,13H,9-12H2,1-2H3