6-azanylidene-6-methoxy-2-propyl-hexanoic acid; methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate; dihydrochloride

Systemtic Name: 6-azanylidene-6-methoxy-2-propyl-hexanoic acid; methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate; dihydrochloride Openeye Name: 6-imino-6-methoxy-2-propyl-hexanoic acid; methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate; dihydrochloride CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester; 6-imino-6-methoxy-2-propylhexanoic acid; dihydrochloride IUPAC Name: 6-imino-6-methoxy-2-propylhexanoic acid; methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate; dihydrochloride Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester; 6-imino-6-methoxy-2-propyl-hexanoic acid; dihydrochloride Formula: C25H37Cl2N3O7 MolecularWeight: 562.48318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4.C10H19NO3.2ClH/c1-9-7-13(14(10(2)16-9)15(18)21-3)11-5-4-6-12(8-11)17(19)20;1-3-5-8(10(12)13)6-4-7-9(11)14-2;;/h4-8,13,16H,1-3H3;8,11H,3-7H2,1-2H3,(H,12,13);2*1H