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

Systemtic Name: methyl 3-[4-(2-methylphenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-nitro-5-[4-(o-tolyl)piperazine-1-carbonyl]benzoate CAS Name: 3-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-[4-(o-tolyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H21N3O5/c1-14-5-3-4-6-18(14)21-7-9-22(10-8-21)19(24)15-11-16(20(25)28-2)13-17(12-15)23(26)27/h3-6,11-13H,7-10H2,1-2H3