5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1-(phenylmethyl)-4H-pyridine-3-carboxylate; methanamine; hydrochloride

Systemtic Name: 5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1-(phenylmethyl)-4H-pyridine-3-carboxylate; methanamine; hydrochloride Openeye Name: 1-benzyl-5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3-carboxylate; methanamine; hydrochloride CAS Name: 5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1-(phenylmethyl)-4H-pyridine-3-carboxylate; methanamine; hydrochloride IUPAC Name: 1-benzyl-5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3-carboxylate; methanamine; hydrochloride Traditional Name: 1-benzyl-5-carbethoxy-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3-carboxylate; methylamine; hydrochloride Formula: C25H29ClN3O6- MolecularWeight: 502.96726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-])C)CC3=CC=CC=C3)C.CN.Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-])C)CC3=CC=CC=C3)C.CN.Cl

InChI

InChI=1S/C24H24N2O6.CH5N.ClH/c1-4-32-24(29)21-16(3)25(14-17-9-6-5-7-10-17)15(2)20(23(27)28)22(21)18-11-8-12-19(13-18)26(30)31;1-2;/h5-13,22H,4,14H2,1-3H3,(H,27,28);2H2,1H3;1H/p-1