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

Systemtic Name: (4R)-2,6-dimethyl-5-(3-nitrooxypropoxycarbonyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: (4R)-2,6-dimethyl-5-(3-nitrooxypropoxycarbonyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: (4R)-2,6-dimethyl-5-[3-nitrooxypropoxy(oxo)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: (4R)-2,6-dimethyl-5-(3-nitrooxypropoxycarbonyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: (4R)-2,6-dimethyl-5-(3-nitrooxypropoxycarbonyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C18H19N3O9 MolecularWeight: 421.35816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O9/c1-10-14(17(22)23)16(12-5-3-6-13(9-12)20(25)26)15(11(2)19-10)18(24)29-7-4-8-30-21(27)28/h3,5-6,9,16,19H,4,7-8H2,1-2H3,(H,22,23)/t16-/m1/s1