(Z)-but-2-enedioate; N-ethyl-2-morpholin-4-yl-N-[4-nitro-2-(phenylcarbonyl)phenyl]ethanamide

Systemtic Name: (Z)-but-2-enedioate; N-ethyl-2-morpholin-4-yl-N-[4-nitro-2-(phenylcarbonyl)phenyl]ethanamide Openeye Name: N-(2-benzoyl-4-nitro-phenyl)-N-ethyl-2-morpholino-acetamide; (Z)-but-2-enedioate CAS Name: N-(2-benzoyl-4-nitrophenyl)-N-ethyl-2-(4-morpholinyl)acetamide; (Z)-2-butenedioate IUPAC Name: N-(2-benzoyl-4-nitrophenyl)-N-ethyl-2-morpholin-4-ylacetamide; (Z)-but-2-enedioate Traditional Name: N-(2-benzoyl-4-nitro-phenyl)-N-ethyl-2-morpholino-acetamide maleate Formula: C25H25N3O9-2 MolecularWeight: 511.4807

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2)C(=O)CN3CCOCC3.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCN(C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2)C(=O)CN3CCOCC3.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C21H23N3O5.C4H4O4/c1-2-23(20(25)15-22-10-12-29-13-11-22)19-9-8-17(24(27)28)14-18(19)21(26)16-6-4-3-5-7-16;5-3(6)1-2-4(7)8/h3-9,14H,2,10-13,15H2,1H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-