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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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