O3-(2-nitrooxyethyl) O5-(phenylmethyl) 2,6-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-(2-nitrooxyethyl) O5-(phenylmethyl) 2,6-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-benzyl O3-(2-nitrooxyethyl) 2,6-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-methyl-5-nitro-4-imidazolyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(2-nitrooxyethyl) ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 3-O-(2-nitrooxyethyl) 2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-benzyl ester O3-(2-nitrooxyethyl) ester Formula: C22H23N5O9 MolecularWeight: 501.44612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=C(N=CN3C)[N+](=O)[O-])C(=O)OCCO[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=C(N=CN3C)[N+](=O)[O-])C(=O)OCCO[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O9/c1-13-16(21(28)34-9-10-36-27(32)33)18(19-20(26(30)31)23-12-25(19)3)17(14(2)24-13)22(29)35-11-15-7-5-4-6-8-15/h4-8,12,18,24H,9-11H2,1-3H3