2-acetyloxyethyl 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-acetyloxyethyl 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-acetoxyethyl 4-(2-benzyloxyphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid 2-acetyloxyethyl ester IUPAC Name: 2-acetyloxyethyl 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-benzoxyphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid 2-acetoxyethyl ester Formula: C25H26N2O7 MolecularWeight: 466.48314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)OCCOC(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)OCCOC(=O)C

InChI

InChI=1S/C25H26N2O7/c1-16-22(25(29)33-14-13-32-18(3)28)23(24(27(30)31)17(2)26-16)20-11-7-8-12-21(20)34-15-19-9-5-4-6-10-19/h4-12,23,26H,13-15H2,1-3H3