ethyl 6-azanyl-5-cyano-4-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-2-phenyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-4-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-2-phenyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-4-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-2-phenyl-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-[3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methoxyphenyl]-2-phenyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-2-phenyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-2-phenyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C28H27N5O6 MolecularWeight: 529.54388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OC)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C#N)N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OC)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C28H27N5O6/c1-5-38-28(34)24-23(21(14-29)27(30)39-26(24)18-9-7-6-8-10-18)19-11-12-22(37-4)20(13-19)15-32-17(3)25(33(35)36)16(2)31-32/h6-13,23H,5,15,30H2,1-4H3