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

Systemtic Name: methyl 5-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-nitro-benzoate Openeye Name: methyl 5-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-nitro-benzoate CAS Name: 5-[4-(2-hydroxyphenyl)-1-piperazinyl]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-nitrobenzoate Traditional Name: 5-[4-(2-hydroxyphenyl)piperazino]-2-nitro-benzoic acid methyl ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCN(CC2)C3=CC=CC=C3O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCN(CC2)C3=CC=CC=C3O)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5/c1-26-18(23)14-12-13(6-7-15(14)21(24)25)19-8-10-20(11-9-19)16-4-2-3-5-17(16)22/h2-7,12,22H,8-11H2,1H3