5-(2,2-dicyanoethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 5-(2,2-dicyanoethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 5-(2,2-dicyanoethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-[2,2-dicyanoethoxy(oxo)methyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate IUPAC Name: 5-(2,2-dicyanoethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(2,2-dicyanoethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Formula: C19H15N4O6- MolecularWeight: 395.3456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O6/c1-10-15(18(24)25)17(13-4-3-5-14(6-13)23(27)28)16(11(2)22-10)19(26)29-9-12(7-20)8-21/h3-6,12,17,22H,9H2,1-2H3,(H,24,25)/p-1