pyridin-3-yl 4-[6-(imidazol-1-ylmethyl)pyridin-2-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-enyl-pyridine-3-carboxylate

Systemtic Name: pyridin-3-yl 4-[6-(imidazol-1-ylmethyl)pyridin-2-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-enyl-pyridine-3-carboxylate Openeye Name: 3-pyridyl 1-allyl-4-[6-(imidazol-1-ylmethyl)-2-pyridyl]-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate CAS Name: 4-[6-(1-imidazolylmethyl)-2-pyridinyl]-2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-enyl-3-pyridinecarboxylic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 4-[6-(imidazol-1-ylmethyl)pyridin-2-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-enylpyridine-3-carboxylate Traditional Name: 1-allyl-4-[6-(imidazol-1-ylmethyl)-2-pyridyl]-2,6-dimethyl-4-(3-nitrophenyl)nicotinic acid 3-pyridyl ester Formula: C31H28N6O4 MolecularWeight: 548.59182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=C(N1CC=C)C)C(=O)OC2=CN=CC=C2)(C3=CC(=CC=C3)[N+](=O)[O-])C4=NC(=CC=C4)CN5C=CN=C5

Isomeric SMILES

CC1=CC(C(=C(N1CC=C)C)C(=O)OC2=CN=CC=C2)(C3=CC(=CC=C3)[N+](=O)[O-])C4=NC(=CC=C4)CN5C=CN=C5

InChI

InChI=1S/C31H28N6O4/c1-4-15-36-22(2)18-31(24-8-5-10-26(17-24)37(39)40,28-12-6-9-25(34-28)20-35-16-14-33-21-35)29(23(36)3)30(38)41-27-11-7-13-32-19-27/h4-14,16-19,21H,1,15,20H2,2-3H3