[(E)-5-phenylpent-2-en-4-ynyl] 2,6-dimethyl-4-(3-nitrophenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: [(E)-5-phenylpent-2-en-4-ynyl] 2,6-dimethyl-4-(3-nitrophenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: [(E)-5-phenylpent-2-en-4-ynyl] 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid [(E)-5-phenylpent-2-en-4-ynyl] ester IUPAC Name: [(E)-5-phenylpent-2-en-4-ynyl] 2,6-dimethyl-4-(3-nitrophenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid [(E)-5-phenylpent-2-en-4-ynyl] ester Formula: C30H25N3O4 MolecularWeight: 491.5372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC=CC#CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/C#CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C30H25N3O4/c1-21-27(25-15-10-17-31-20-25)29(24-14-9-16-26(19-24)33(35)36)28(22(2)32-21)30(34)37-18-8-4-7-13-23-11-5-3-6-12-23/h3-6,8-12,14-17,19-20,29,32H,18H2,1-2H3/b8-4+