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

Systemtic Name: 6-azanylidene-6-methoxy-2-propyl-hexanoic acid; methyl 2,6-dimethyl-4-(3-nitrophenyl)-2,3-dihydropyridine-3-carboxylate; hydrochloride Openeye Name: 6-imino-6-methoxy-2-propyl-hexanoic acid; methyl 2,6-dimethyl-4-(3-nitrophenyl)-2,3-dihydropyridine-3-carboxylate; hydrochloride CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-2,3-dihydropyridine-3-carboxylic acid methyl ester; 6-imino-6-methoxy-2-propylhexanoic acid; hydrochloride IUPAC Name: 6-imino-6-methoxy-2-propylhexanoic acid; methyl 2,6-dimethyl-4-(3-nitrophenyl)-2,3-dihydropyridine-3-carboxylate; hydrochloride Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-2,3-dihydropyridine-3-carboxylic acid methyl ester; 6-imino-6-methoxy-2-propyl-hexanoic acid; hydrochloride Formula: C25H36ClN3O7 MolecularWeight: 526.02224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC(=N)OC)C(=O)O.CC1C(C(=CC(=N1)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC.Cl

Isomeric SMILES

CCCC(CCCC(=N)OC)C(=O)O.CC1C(C(=CC(=N1)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC.Cl

InChI

InChI=1S/C15H16N2O4.C10H19NO3.ClH/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;/h4-8,10,14H,1-3H3;8,11H,3-7H2,1-2H3,(H,12,13);1H