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

Systemtic Name: ethyl 3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-[4-(4-methoxyphenyl)-1-piperazinyl]propylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[3-[4-(4-methoxyphenyl)piperazino]propylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C24H30N4O6 MolecularWeight: 470.5182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O6/c1-3-34-24(30)19-15-18(16-21(17-19)28(31)32)23(29)25-9-4-10-26-11-13-27(14-12-26)20-5-7-22(33-2)8-6-20/h5-8,15-17H,3-4,9-14H2,1-2H3,(H,25,29)