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

Systemtic Name: methyl 4-(4-ethanoylpiperazin-1-yl)-3-[2-(4-nitrophenoxy)ethanoylamino]benzoate Openeye Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[2-(4-nitrophenoxy)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid methyl ester Formula: C22H24N4O7 MolecularWeight: 456.44856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O7/c1-15(27)24-9-11-25(12-10-24)20-8-3-16(22(29)32-2)13-19(20)23-21(28)14-33-18-6-4-17(5-7-18)26(30)31/h3-8,13H,9-12,14H2,1-2H3,(H,23,28)