(4-butan-2-ylpiperazin-1-yl)-(4-nitrophenyl)methanone; ethanedioic acid

Systemtic Name: (4-butan-2-ylpiperazin-1-yl)-(4-nitrophenyl)methanone; ethanedioic acid Openeye Name: (4-nitrophenyl)-(4-sec-butylpiperazin-1-yl)methanone; oxalic acid CAS Name: (4-butan-2-yl-1-piperazinyl)-(4-nitrophenyl)methanone; oxalic acid IUPAC Name: (4-butan-2-ylpiperazin-1-yl)-(4-nitrophenyl)methanone; oxalic acid Traditional Name: (4-nitrophenyl)-(4-sec-butylpiperazino)methanone; oxalic acid Formula: C17H23N3O7 MolecularWeight: 381.38042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3.C2H2O4/c1-3-12(2)16-8-10-17(11-9-16)15(19)13-4-6-14(7-5-13)18(20)21;3-1(4)2(5)6/h4-7,12H,3,8-11H2,1-2H3;(H,3,4)(H,5,6)