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

Systemtic Name: methyl 3-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-28-18-5-3-4-16(13-18)21-6-8-22(9-7-21)19(24)14-10-15(20(25)29-2)12-17(11-14)23(26)27/h3-5,10-13H,6-9H2,1-2H3