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

Systemtic Name: (E)-but-2-enedioic acid; N-(2-dimethylaminoethyl)-2-methyl-4-(4-nitrophenyl)-6-phenyl-pyridine-3-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-2-methyl-4-(4-nitrophenyl)-6-phenyl-pyridine-3-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(2-dimethylaminoethyl)-2-methyl-4-(4-nitrophenyl)-6-phenyl-3-pyridinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-(2-dimethylaminoethyl)-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-2-methyl-4-(4-nitrophenyl)-6-phenyl-nicotinamide; fumaric acid Formula: C27H28N4O7 MolecularWeight: 520.53382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCCN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H24N4O3.C4H4O4/c1-16-22(23(28)24-13-14-26(2)3)20(17-9-11-19(12-10-17)27(29)30)15-21(25-16)18-7-5-4-6-8-18;5-3(6)1-2-4(7)8/h4-12,15H,13-14H2,1-3H3,(H,24,28);1-2H,(H,5,6)(H,7,8)/b;2-1+