bis(3-nitrooxypropyl) 2-azanyl-4-(3-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(3-nitrooxypropyl) 2-azanyl-4-(3-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis(3-nitrooxypropyl) 2-amino-4-(3-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-amino-4-(3-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(3-nitrooxypropyl) ester IUPAC Name: bis(3-nitrooxypropyl) 2-amino-4-(3-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-amino-4-(3-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(3-nitrooxypropyl) ester Formula: C21H23N5O10 MolecularWeight: 505.43482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O10/c1-13-16(20(27)33-7-3-9-35-25(29)30)17(15-6-2-5-14(11-15)12-22)18(19(23)24-13)21(28)34-8-4-10-36-26(31)32/h2,5-6,11,17,24H,3-4,7-10,23H2,1H3