2-cyano-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2-cyano-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-tert-butoxycarbonyl-2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-cyano-6-methyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-cyano-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-tert-butoxycarbonyl-2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O6/c1-10-14(18(25)28-19(2,3)4)15(16(17(23)24)13(9-20)21-10)11-6-5-7-12(8-11)22(26)27/h5-8,15,21H,1-4H3,(H,23,24)