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

Systemtic Name: ethyl 2,6-dimethyl-5-(3-methylbutanoyloxycarbamoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2,6-dimethyl-5-(3-methylbutanoyloxycarbamoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-[[(3-methyl-1-oxobutoxy)amino]-oxomethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,6-dimethyl-5-(3-methylbutanoyloxycarbamoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(isovaleryloxycarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H27N3O7 MolecularWeight: 445.46568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NOC(=O)CC(C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NOC(=O)CC(C)C)C)C

InChI

InChI=1S/C22H27N3O7/c1-6-31-22(28)19-14(5)23-13(4)18(21(27)24-32-17(26)10-12(2)3)20(19)15-8-7-9-16(11-15)25(29)30/h7-9,11-12,20,23H,6,10H2,1-5H3,(H,24,27)