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

Systemtic Name: phenethyl 2,6-dimethyl-5-nitro-4-(6-phenylpyridin-2-yl)-1,4-dihydropyridine-3-carboxylate Openeye Name: phenethyl 2,6-dimethyl-5-nitro-4-(6-phenyl-2-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-(6-phenyl-2-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2,6-dimethyl-5-nitro-4-(6-phenylpyridin-2-yl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-(6-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=CC=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=CC=CC(=N2)C3=CC=CC=C3)C(=O)OCCC4=CC=CC=C4

InChI

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