methyl 3-[4-(4-hydroxyphenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-(4-hydroxyphenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(4-hydroxyphenyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C19H19N3O6 MolecularWeight: 385.37066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O6/c1-28-19(25)14-10-13(11-16(12-14)22(26)27)18(24)21-8-6-20(7-9-21)15-2-4-17(23)5-3-15/h2-5,10-12,23H,6-9H2,1H3