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

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[2-(2-nitrophenoxy)ethanoylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[2-(2-nitrophenoxy)acetyl]amino]benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[2-(2-nitrophenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-methylpiperazino)-3-[[2-(2-nitrophenoxy)acetyl]amino]benzoic acid methyl ester Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6/c1-23-9-11-24(12-10-23)17-8-7-15(21(27)30-2)13-16(17)22-20(26)14-31-19-6-4-3-5-18(19)25(28)29/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)