O5-(1,3-dinitrooxypropan-2-yl) O3-propan-2-yl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-(1,3-dinitrooxypropan-2-yl) O3-propan-2-yl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-isopropyl O5-[2-nitrooxy-1-(nitrooxymethyl)ethyl] 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(1,3-dinitrooxypropan-2-yl) ester O3-propan-2-yl ester IUPAC Name: 5-O-(1,3-dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-isopropyl ester O5-[2-nitrooxy-1-(nitrooxymethyl)ethyl] ester Formula: C21H24N4O12 MolecularWeight: 524.43486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O12/c1-11(2)36-20(26)17-12(3)22-13(4)18(19(17)15-7-5-6-8-16(15)23(28)29)21(27)37-14(9-34-24(30)31)10-35-25(32)33/h5-8,11,14,19,22H,9-10H2,1-4H3