2-azanyl-5-(4-methoxyphenyl)carbonyl-4-(3-nitrophenyl)-6-(trifluoromethyl)-4H-pyran-3-carbonitrile

Systemtic Name: 2-azanyl-5-(4-methoxyphenyl)carbonyl-4-(3-nitrophenyl)-6-(trifluoromethyl)-4H-pyran-3-carbonitrile Openeye Name: 2-amino-5-(4-methoxybenzoyl)-4-(3-nitrophenyl)-6-(trifluoromethyl)-4H-pyran-3-carbonitrile CAS Name: 2-amino-5-[(4-methoxyphenyl)-oxomethyl]-4-(3-nitrophenyl)-6-(trifluoromethyl)-4H-pyran-3-carbonitrile IUPAC Name: 2-amino-5-(4-methoxybenzoyl)-4-(3-nitrophenyl)-6-(trifluoromethyl)-4H-pyran-3-carbonitrile Traditional Name: 2-amino-4-(3-nitrophenyl)-5-p-anisoyl-6-(trifluoromethyl)-4H-pyran-3-carbonitrile Formula: C21H14F3N3O5 MolecularWeight: 445.34817

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C(OC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C#N)N)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C(OC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C#N)N)C(F)(F)F

InChI

InChI=1S/C21H14F3N3O5/c1-31-14-7-5-11(6-8-14)18(28)17-16(12-3-2-4-13(9-12)27(29)30)15(10-25)20(26)32-19(17)21(22,23)24/h2-9,16H,26H2,1H3