(E)-but-2-enedioic acid; N-(2-dimethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-(2-dimethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(2-dimethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-(2-dimethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide; fumaric acid Formula: C26H27N5O7 MolecularWeight: 521.52188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCCN(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCCN(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H23N5O3.C4H4O4/c1-15-19(22(28)23-12-13-26(2)3)20(17-10-7-11-18(14-17)27(29)30)25-21(24-15)16-8-5-4-6-9-16;5-3(6)1-2-4(7)8/h4-11,14H,12-13H2,1-3H3,(H,23,28);1-2H,(H,5,6)(H,7,8)/b;2-1+