ethyl 3-[3-[4-(3-methylphenyl)piperazin-1-yl]propylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[3-[4-(3-methylphenyl)piperazin-1-yl]propylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[3-[4-(m-tolyl)piperazin-1-yl]propylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-[4-(3-methylphenyl)-1-piperazinyl]propylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(3-methylphenyl)piperazin-1-yl]propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[3-[4-(m-tolyl)piperazino]propylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C24H30N4O5 MolecularWeight: 454.5188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCN2CCN(CC2)C3=CC=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCN2CCN(CC2)C3=CC=CC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O5/c1-3-33-24(30)20-15-19(16-22(17-20)28(31)32)23(29)25-8-5-9-26-10-12-27(13-11-26)21-7-4-6-18(2)14-21/h4,6-7,14-17H,3,5,8-13H2,1-2H3,(H,25,29)