3-cyanatocarbonyl-6-methyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydropyridine-5-carboxylate

Systemtic Name: 3-cyanatocarbonyl-6-methyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydropyridine-5-carboxylate Openeye Name: 3-cyanatocarbonyl-6-methyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydropyridine-5-carboxylate CAS Name: 3-[cyanato(oxo)methyl]-6-methyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydropyridine-5-carboxylate IUPAC Name: 3-cyanatocarbonyl-6-methyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydropyridine-5-carboxylate Traditional Name: 3-cyanatocarbonyl-6-methyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydropyridine-5-carboxylate Formula: C15H12N3O6- MolecularWeight: 330.27228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(CN1)C(=O)OC#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C(C(CN1)C(=O)OC#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H13N3O6/c1-8-12(14(19)20)13(11(6-17-8)15(21)24-7-16)9-3-2-4-10(5-9)18(22)23/h2-5,11,13,17H,6H2,1H3,(H,19,20)/p-1