phenethyl 2,6-dimethyl-5-nitro-4-(3-phenylpyridin-2-yl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: phenethyl 2,6-dimethyl-5-nitro-4-(3-phenylpyridin-2-yl)-1,4-dihydropyridine-3-carboxylate Openeye Name: phenethyl 2,6-dimethyl-5-nitro-4-(3-phenyl-2-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-(3-phenyl-2-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2,6-dimethyl-5-nitro-4-(3-phenylpyridin-2-yl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-(3-phenyl-2-pyridyl)-1,4-dihydropyridine-3-carboxylic acid phenethyl ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=C(C=CC=N2)C3=CC=CC=C3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=C(C=CC=N2)C3=CC=CC=C3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4/c1-18-23(27(31)34-17-15-20-10-5-3-6-11-20)24(26(30(32)33)19(2)29-18)25-22(14-9-16-28-25)21-12-7-4-8-13-21/h3-14,16,24,29H,15,17H2,1-2H3