methyl 3-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(4-methyl-2-phenyl-1-piperazinyl)ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-(4-methyl-2-phenyl-piperazino)ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)CCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)CCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H26N4O5/c1-24-10-11-25(20(15-24)16-6-4-3-5-7-16)9-8-23-21(27)17-12-18(22(28)31-2)14-19(13-17)26(29)30/h3-7,12-14,20H,8-11,15H2,1-2H3,(H,23,27)