methyl 3-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]carbonylamino]pentanoate

Systemtic Name: methyl 3-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]carbonylamino]pentanoate Openeye Name: methyl 3-methyl-2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]pentanoate CAS Name: 3-methyl-2-[[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]pentanoate Traditional Name: 3-methyl-2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]valeric acid methyl ester Formula: C18H26N4O5 MolecularWeight: 378.42284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O5/c1-4-13(2)16(17(23)27-3)19-18(24)21-11-9-20(10-12-21)14-5-7-15(8-6-14)22(25)26/h5-8,13,16H,4,9-12H2,1-3H3,(H,19,24)