5-(2-cyanoethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-(2-cyanoethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(2-cyanoethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[2-cyanoethoxy(oxo)methyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-(2-cyanoethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(2-cyanoethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6/c1-10-14(17(22)23)16(12-5-3-6-13(9-12)21(25)26)15(11(2)20-10)18(24)27-8-4-7-19/h3,5-6,9,16,20H,4,8H2,1-2H3,(H,22,23)