methyl 3-[3-cyano-2-methoxy-6-(4-nitrophenyl)pyridin-4-yl]azulene-1-carboxylate

Systemtic Name: methyl 3-[3-cyano-2-methoxy-6-(4-nitrophenyl)pyridin-4-yl]azulene-1-carboxylate Openeye Name: methyl 3-[3-cyano-2-methoxy-6-(4-nitrophenyl)-4-pyridyl]azulene-1-carboxylate CAS Name: 3-[3-cyano-2-methoxy-6-(4-nitrophenyl)-4-pyridinyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-cyano-2-methoxy-6-(4-nitrophenyl)pyridin-4-yl]azulene-1-carboxylate Traditional Name: 3-[3-cyano-2-methoxy-6-(4-nitrophenyl)-4-pyridyl]azulene-1-carboxylic acid methyl ester Formula: C25H17N3O5 MolecularWeight: 439.41958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C4C3=CC=CC=C4)C(=O)OC)C#N

Isomeric SMILES

COC1=C(C(=CC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C4C3=CC=CC=C4)C(=O)OC)C#N

InChI

InChI=1S/C25H17N3O5/c1-32-24-22(14-26)20(13-23(27-24)15-8-10-16(11-9-15)28(30)31)19-12-21(25(29)33-2)18-7-5-3-4-6-17(18)19/h3-13H,1-2H3