methyl 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(3-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(=C1)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

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