2-azanyl-6-methyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyl-1,4-dihydropyridine-3-carboxylate hydrate dihydrochloride

Systemtic Name: 2-azanyl-6-methyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyl-1,4-dihydropyridine-3-carboxylate hydrate dihydrochloride Openeye Name: 2-amino-5-isopropoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrate dihydrochloride CAS Name: 2-amino-6-methyl-4-(3-nitrophenyl)-5-[oxo(propan-2-yloxy)methyl]-1,4-dihydropyridine-3-carboxylate hydrate dihydrochloride IUPAC Name: 2-amino-6-methyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyl-1,4-dihydropyridine-3-carboxylate hydrate dihydrochloride Traditional Name: 2-amino-5-isopropoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrate dihydrochloride Formula: C17H22Cl2N3O7- MolecularWeight: 451.27848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6.2ClH.H2O/c1-8(2)26-17(23)12-9(3)19-15(18)14(16(21)22)13(12)10-5-4-6-11(7-10)20(24)25;;;/h4-8,13,19H,18H2,1-3H3,(H,21,22);2*1H;1H2/p-1