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

Systemtic Name: methyl 2,6-dimethyl-5-(3-methylbutanoyloxycarbamoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7/c1-11(2)9-16(25)31-23-20(26)17-12(3)22-13(4)18(21(27)30-5)19(17)14-7-6-8-15(10-14)24(28)29/h6-8,10-11,19,22H,9H2,1-5H3,(H,23,26)