3-(2-cyanoethoxycarbonyl)-2-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 3-(2-cyanoethoxycarbonyl)-2-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 3-(2-cyanoethoxycarbonyl)-2-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 3-[2-cyanoethoxy(oxo)methyl]-2-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 3-(2-cyanoethoxycarbonyl)-2-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-carbomethoxy-3-(2-cyanoethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C20H21N3O8 MolecularWeight: 431.39604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O8/c1-12-10-15(13-6-4-7-14(11-13)23(28)29)20(16(24)25,18(27)31-9-5-8-21)19(2,22-12)17(26)30-3/h4,6-7,10-11,15,22H,5,9H2,1-3H3,(H,24,25)