(E)-but-2-enedioate; 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: (E)-but-2-enedioate; 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: (E)-but-2-enedioate; 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (E)-2-butenedioate; 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate IUPAC Name: (E)-but-2-enedioate; 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate fumarate Formula: C18H14N3O10-3 MolecularWeight: 432.31786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O6.C4H4O4/c1-7-11(14(18)19)12(13(17(22)23)8(2)15-7)9-4-3-5-10(6-9)16(20)21;5-3(6)1-2-4(7)8/h3-6,12,15H,1-2H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/p-3/b;2-1+