methyl 4-(4-ethylpiperazin-1-yl)-3-[2-(2-nitrophenoxy)ethanoylamino]benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[2-(2-nitrophenoxy)ethanoylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(2-nitrophenoxy)acetyl]amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(2-nitrophenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[[2-(2-nitrophenoxy)acetyl]amino]benzoic acid methyl ester Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O6/c1-3-24-10-12-25(13-11-24)18-9-8-16(22(28)31-2)14-17(18)23-21(27)15-32-20-7-5-4-6-19(20)26(29)30/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,27)