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

Systemtic Name: 2-azanyl-5-hexoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrate dihydrochloride Openeye Name: 2-amino-5-hexoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrate dihydrochloride CAS Name: 2-amino-5-[hexoxy(oxo)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrate dihydrochloride IUPAC Name: 2-amino-5-hexoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrate dihydrochloride Traditional Name: 2-amino-5-hexoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrate dihydrochloride Formula: C20H28Cl2N3O7- MolecularWeight: 493.35822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-])N)C.O.Cl.Cl

Isomeric SMILES

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-])N)C.O.Cl.Cl

InChI

InChI=1S/C20H25N3O6.2ClH.H2O/c1-3-4-5-6-10-29-20(26)15-12(2)22-18(21)17(19(24)25)16(15)13-8-7-9-14(11-13)23(27)28;;;/h7-9,11,16,22H,3-6,10,21H2,1-2H3,(H,24,25);2*1H;1H2/p-1